(2S)-2-Phenylpropan-1-amine

C₉H₁₃NCAS 17596-79-1135.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₃N
Molar mass: 135.21 g/mol
Exact mass: 135.1048 Da
logP: 1.75Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

17596-79-1

SMILES

C[C@H](CN)C1=CC=CC=C1

InChIKey

AXORVIZLPOGIRG-MRVPVSSYSA-N

InChI

InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(S)-2-Phenyl-1-propylamine

Work with (2S)-2-Phenylpropan-1-amine

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.

(R)-2-Phenyl-1-propylamine28163-64-6Enantiomer (±)-2-Phenylpropylamine582-22-9Stereo not defined β-Methylbenzeneethanamine hydrochloride20388-87-8Salt, stereo not defined

Similar compounds

sec-Butylbenzene135-98-858 % similar 2,2-Diphenylethylamine3963-62-056 % similar 2-Phenyl-1-propanol1123-85-956 % similar 1-Bromo-2-phenylpropane1459-00-356 % similar 2-Phenylpropanol37778-99-756 % similar 2-Phenyl-1-propanol98103-87-856 % similar (-)-Phenylethanolamine2549-14-650 % similar (1S)-2-Amino-1-phenylethan-1-ol56613-81-150 % 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 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8

Elsewhere

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