(-)-N-Benzyl-1-phenylethylamine

C₁₅H₁₇NCAS 17480-69-2211.31 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₅H₁₇N
Molar mass: 211.31 g/mol
Exact mass: 211.1361 Da
Boiling point: 110–115 °C (at 0.5 Torr)
logP: 3.54Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17480-69-2

SMILES

C[C@H](NCc1ccccc1)c1ccccc1

InChIKey

ZYZHMSJNPCYUTB-ZDUSSCGKSA-N

InChI

InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all

Benzenemethanamine, α-methyl-N-(phenylmethyl)-, (αS)-
Dibenzylamine, α-methyl-, (-)-
Benzenemethanamine, α-methyl-N-(phenylmethyl)-, (S)-
(αS)-α-Methyl-N-(phenylmethyl)benzenemethanamine
(S)-N-Benzyl-α-phenethylamine
(1S)-N-(1-Phenylethyl)benzylamine
(S)-N-Benzyl-1-phenylethylamine
(S)-N-Benzyl-α-methylbenzylamine
(S)-(-)-N-Benzyl-α-methylbenzylamine
(S)-Benzyl(α-methylbenzyl)amine
(Benzyl)((S)-1-phenylethyl)amine
(S)-N-Benzyl-N-(α-methylbenzyl)amine
N-Benzyl-N-((αS)-α-methylbenzyl)amine
(Benzyl)((1S)-1-phenylethyl)amine
N-Benzyl((S)-1-phenylethyl)amine
(S)-N-Benzyl-1-phenylethanamine
(1S)-N-Benzyl-1-phenylethylamine
(S)-(-)-N-Benzyl-alpha-methylbenzylamine
(S)-N-Benzyl-1-phenylethan-1-amine
(1S)-N-Benzyl-1-phenylethanamine
(S)-(-)-N-Benzyl-1-phenylethylamine

Work with (-)-N-Benzyl-1-phenylethylamine

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.

(+)-Benzylphenethylamine38235-77-7Enantiomer

Similar compounds

Isopropylbenzylamine102-97-661 % similar (αS)-N,α-Dimethylbenzenemethanamine19131-99-852 % similar (R)-(+)-N-Methyl-1-phenylethylamine5933-40-452 % similar (1S,2R)-N-Benzyl-2-amino-1,2-diphenylethanol153322-12-450 % similar (+)-Bis[(R)-1-phenylethyl]amine hydrochloride82398-30-950 % similar N-Methylbenzylamine103-67-345 % similar Dibenzylamine103-49-144 % similar 4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine43229-65-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzylphenethylamine3647-71-0 1,2-Diphenylethyl-N-methylamine53663-25-5 3,3-Diphenylpropylamine5586-73-2 Acrylonitrile butadiene styrene9003-56-9 Ethylbenzylaniline92-59-1 4-(trans-4-Ethenylcyclohexyl)benzonitrile96184-42-8

Elsewhere

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