chempirical

(2S)-N-Phenyl-2-pyrrolidinemethanamine

C11H16N2CAS 64030-44-0176.26 g/mol

Open in Covalent MOL file
NHHN
Secondary amine

Properties

Molecular formula
C11H16N2
Molar mass
176.26 g/mol
Exact mass
176.1313 Da
Boiling point
111–112 °C (at 0.55 Torr)
logP
1.85Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
64030-44-0
SMILES
c1ccc(NC[C@@H]2CCCN2)cc1
InChIKey
MCHWKJRTMPIHRA-NSHDSACASA-N
InChI
InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2/t11-/m0/s1

Weigh it out

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Names and synonyms

10 names
  • 2-Pyrrolidinemethanamine, N-phenyl-, (2S)-
  • 2-Pyrrolidinemethanamine, N-phenyl-, (S)-
  • (S)-2-(Anilinomethyl)pyrrolidine
  • (S)-2-(Phenylaminomethyl)pyrrolidine
  • (2S)-(Anilinomethyl)pyrrolidine
  • (S)-(+)-2-(Anilinomethyl)pyrrolidine
  • (+)-2-(Anilinomethyl)pyrrolidine
  • (2S)-2-Phenylaminomethylpyrrolidine
  • (S)-N-(Pyrrolidin-2-ylmethyl)aniline
  • 2-Pyrrolidinemethanamine N-phenyl-, (2S)-

Work with (2S)-N-Phenyl-2-pyrrolidinemethanamine

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

Same formula

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-7 (3R)-1-Benzylpyrrolidin-3-amine114715-39-8 1-Benzylpiperazine2759-28-6 1-(2-Methylphenyl)piperazine39512-51-1 1-(4-Methylphenyl)piperazine39593-08-3 1-(3-Methylphenyl)piperazine41186-03-2 1-Methyl-3-phenylpiperazine5271-27-2

Elsewhere

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