(-)-1-(4-Methylphenyl)ethylamine

C₉H₁₃NCAS 27298-98-2135.21 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₉H₁₃N
Molar mass: 135.21 g/mol
Exact mass: 135.1048 Da
Boiling point: 85–86 °C (at 30 Torr)
logP: 2.01Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed98.7% of notifiers
H312 Harmful in contact with skin29.1% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction70.2% of notifiers
H318 Causes serious eye damage70.9% of notifiers
H332 Harmful if inhaled26.5% of notifiers

Aggregated from 151 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, 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

27298-98-2

SMILES

Cc1ccc([C@H](C)N)cc1

InChIKey

UZDDXUMOXKDXNE-QMMMGPOBSA-N

InChI

InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all

(1S)-1-(4-Methylphenyl)ethanamine
N-[(1S)-1-(4-Methylphenyl)ethyl]amine
(S)-1-(p-Tolyl)ethanamine
(S)-(-)-4-Methyl-α-methylbenzylamine
Benzenemethanamine, α,4-dimethyl-, (αS)-
Benzylamine, p,α-dimethyl-, (S)-(-)-
Benzenemethanamine, α,4-dimethyl-, (S)-
(αS)-α,4-Dimethylbenzenemethanamine
(-)-1-(p-Tolyl)ethylamine
(S)-(-)-p,α-Dimethylbenzylamine
(S)-α,4-Dimethylbenzylamine
(-)-p-Methyl-α-phenylethylamine
(S)-1-(p-Tolyl)ethylamine
(S)-1-(4-Methylphenyl)ethylamine
(S)-1-(p-Methylphenyl)ethylamine
(S)-(-)-1-(4-Methylphenyl)ethylamine
(1S)-(p-Tolyl)ethylamine

Work with (-)-1-(4-Methylphenyl)ethylamine

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-Methylphenyl)ethylamine4187-38-6Enantiomer

Similar compounds

(S)-α-Phenethylamine2627-86-358 % similar (R)-α-Phenethylamine3886-69-958 % similar 1-Phenethylamine618-36-058 % similar 1-Phenylethylamine98-84-058 % similar 1-(4-Bromophenyl)ethylamine24358-62-158 % similar (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-158 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-358 % similar (+)-1-(4-Fluorophenyl)ethylamine374898-01-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Ethyl-m-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-m-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 (2S)-2-Phenylpropan-1-amine17596-79-1 2-Propylaniline1821-39-2

Elsewhere

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