(alphaS)-N,N,alpha-Trimethylbenzenemethanamine

C₁₀H₁₅NCAS 17279-31-1149.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₅N
Molar mass: 149.24 g/mol
Exact mass: 149.1204 Da
Boiling point: 62 °C (at 11 Torr)
logP: 2.31Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

17279-31-1

SMILES

C[C@@H](c1ccccc1)N(C)C

InChIKey

BVURNMLGDQYNAF-VIFPVBQESA-N

InChI

InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m0/s1

Weigh it out

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

Names and synonyms

11 names

(αS)-N,N,α-Trimethylbenzenemethanamine
Benzenemethanamine, N,N,α-trimethyl-, (αS)-
Benzylamine, N,N,α-trimethyl-, (S)-(-)-
Benzenemethanamine, N,N,α-trimethyl-, (S)-
S-(-)-N,N-Dimethyl-1-phenylethylamine
(S)-N,N,α-Trimethylbenzenemethanamine
(S)-N,N-Dimethyl-1-phenylethylamine
(S)-[1-(Dimethylamino)ethyl]benzene
Dimethyl((S)-1-phenylethyl)amine
(1S)-N,N-Dimethyl-1-phenylethanamine
(-)-(S)-N,N-Dimethyl-1-phenylethylamine

Work with (alphaS)-N,N,alpha-Trimethylbenzenemethanamine

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.

(αR)-N,N,α-Trimethylbenzenemethanamine19342-01-9Enantiomer

Similar compounds

3-[1-(Dimethylamino)ethyl]phenol105601-04-557 % similar (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-857 % similar N-Methylephedrine552-79-450 % similar 1-(1-Phenylethyl)piperazine69628-75-748 % similar (2-Amino-1-phenylethyl)dimethylamine6342-21-847 % similar 1,1-Diphenylethane612-00-046 % similar Cumene98-82-846 % similar [(1S)-1-(Dimethylamino)ethyl]ferrocene31886-57-442 % similar

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

Same formula

Isopropylbenzylamine102-97-6 4-Butylaniline104-13-2 N-Butylaniline1126-78-9 Benzenebutanamine13214-66-9 3,4-Dimethylphenethylamine17283-14-6 2-Amino-p-cymene2051-53-8 1-Methyl-3-phenylpropylamine22148-77-2

Elsewhere

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