chempirical

1-Phenylpropylamine

C9H13NCAS 2941-20-0135.21 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
Boiling point
88 °C (at 14 Torr)
logP
2.10Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
2941-20-0
SMILES
CCC(N)c1ccccc1
InChIKey
AQFLVLHRZFLDDV-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • Benzenemethanamine, α-ethyl-
  • Benzylamine, α-ethyl-
  • α-Ethylbenzenemethanamine
  • 1-Propanamine, 1-phenyl-
  • α-Ethylbenzylamine
  • α-Phenylpropylamine
  • (±)-α-Ethylbenzylamine
  • (±)-α-Phenylpropylamine
  • (±)-1-Phenylpropylamine
  • 1-Phenyl-1-propanamine
  • (±)-1-Ethylbenzylamine
  • 1-Amino-1-phenylpropane

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

Similar compounds

(+)-1-Phenylpropylamine3082-64-2100 % similar (-)-1-Phenylpropylamine3789-59-1100 % similar 1,2-Diphenylethylamine25611-78-362 % similar (1-Ethylpropyl)benzene1196-58-356 % similar 1,1-Diphenylpropane1530-03-656 % similar (+)-Phenylglycinol20989-17-756 % similar (-)-Phenylglycinol56613-80-056 % similar Phenylglycinol7568-92-556 % 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

PubChem CAS Common Chemistry NIST WebBook