(+)-1-Phenylpropylamine

C₉H₁₃NCAS 3082-64-2135.21 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: 100 °C (at 10 Torr)
logP: 2.10Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed70% of notifiers
H302 Harmful if swallowed30% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage69.3% of notifiers
H411 Toxic to aquatic life with long lasting effects72.7% of notifiers

Aggregated from 150 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

3082-64-2

SMILES

CC[C@@H](N)c1ccccc1

InChIKey

AQFLVLHRZFLDDV-SECBINFHSA-N

InChI

InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m1/s1

Weigh it out

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

Names and synonyms

20 names · show all

(R)-1-Phenylpropan-1-amine
(R)-α-Ethylbenzylamine
(1R)-1-Phenylpropan-1-amine
Benzenemethanamine, α-ethyl-, (αR)-
Benzylamine, α-ethyl-, (R)-(+)-
Benzenemethanamine, α-ethyl-, (R)-
Benzylamine, α-ethyl-, d-
(αR)-α-Ethylbenzenemethanamine
(+)-α-Phenylpropylamine
(R)-(+)-α-Phenyl-1-propylamine
(+)-1-Ethylbenzylamine
(R)-(+)-1-Phenyl-1-propylamine
(R)-α-Phenylpropylamine
(R)-1-Phenylpropylamine
(R)-(+)-1-Phenylpropylamine
(1R)-1-Phenylpropylamine
(R)-1-Phenyl-1-propanamine
(+)-((R)-1-Phenylpropyl)amine
(R)-(+)-α-Ethylbenzylamine
(R)-1-Phenylpropanamine

Work with (+)-1-Phenylpropylamine

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.

(1S)-1-Phenylpropan-1-amine3789-59-1Enantiomer 1-Phenylpropan-1-amine2941-20-0Stereo not defined

Similar compounds

1,2-Diphenylethylamine25611-78-362 % similar (1-Ethylpropyl)benzene1196-58-356 % similar 1,1-Diphenylpropane1530-03-656 % similar 2-Amino-2-phenylethan-1-ol20989-17-756 % similar (R)-Beta-aminophenethyl alcohol56613-80-056 % similar Phenylglycinol7568-92-556 % similar sec-Butylbenzene135-98-852 % similar γ-Aminobenzenepropanol14593-04-552 % 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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