(αS)-4-Methoxy-α-methylbenzenemethanamine

C₉H₁₃NOCAS 41851-59-6151.21 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₉H₁₃NO
Molar mass: 151.21 g/mol
Exact mass: 151.0997 Da
Boiling point: 72 °C (at 0.5 Torr)
logP: 1.71Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed72.3% of notifiers
H314 Causes severe skin burns and eye damage99.4% of notifiers
H317 May cause an allergic skin reaction69% of notifiers
H318 Causes serious eye damage69% of notifiers
H412 Harmful to aquatic life with long lasting effects69% of notifiers

Aggregated from 155 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

41851-59-6

SMILES

COc1ccc([C@H](C)N)cc1

InChIKey

JTDGKQNNPKXKII-ZETCQYMHSA-N

InChI

InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all

Benzenemethanamine, 4-methoxy-α-methyl-, (αS)-
Benzenemethanamine, 4-methoxy-α-methyl-, (S)-
(-)-α-(4-Methoxyphenyl)ethylamine
(1S)-1-(4-Methoxyphenyl)ethylamine
(-)-α-(p-Methoxyphenyl)ethylamine
(-)-p-Methoxy-α-phenylethylamine
(S)-1-(4-Methoxyphenyl)ethylamine
(S)-(-)-1-(4-Methoxyphenyl)ethylamine
(S)-4-Methoxyphenylethylamine
(-)-[(S)-1-(4-Methoxyphenyl)ethyl]amine
[(1S)-1-[4-(Methyloxy)phenyl]ethyl]amine
(S)-1-(p-Methoxyphenyl)ethylamine
(S)-1-(4-Methoxyphenyl)ethanamine
(1S)-1-[4-(Methyloxy)phenyl]ethanamine
(1S)-1-(4-Methoxyphenyl)ethanamine
(S)-(-)-4-Methoxy-α-methylbenzylamine
(S)-1-(4-Methoxyphenyl)ethan-1-amine
(S)-4-Methoxy-α-methylbenzylamine
(1S)-1-(4-Methoxyphenyl)ethan-1-amine

Work with (αS)-4-Methoxy-α-methylbenzenemethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-1-(4-Methoxyphenyl)ethylamine22038-86-4Enantiomer 1-(4-Methoxyphenyl)ethylamine6298-96-0Stereo not defined

Similar compounds

(1R,2R)-1,2-Bis(4-methoxyphenyl)ethylenediamine58520-03-963 % similar (1S,2S)-Bis(4-methoxyphenyl)-1,2-ethanediamine58520-04-063 % similar 3-Methoxy-α-methylbenzenemethanamine62409-13-661 % similar (αS)-3-Methoxy-α-methylbenzenemethanamine82796-69-861 % similar (R)-1-(3-Methoxyphenyl)ethylamine88196-70-761 % similar 4-Isopropylanisole4132-48-359 % similar (-)-1-(4-Methylphenyl)ethylamine27298-98-254 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzylethanolamine104-63-2 3-Ethylamino-p-cresol120-37-6 γ-Aminobenzenepropanol14593-04-5 3-Methoxy-N,N-dimethylbenzenamine15799-79-8 Phenylalaninol16088-07-6 4-(Dimethylamino)benzyl alcohol1703-46-4 (R)-3-Amino-3-phenylpropan-1-ol170564-98-4 3-Methoxyphenethylamine2039-67-0

Elsewhere

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