1-phenylpyrrolidin-3-amine

• ChemBase ID: 271438
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1(CC(CC1)N)c1ccccc1
• Canonical SMILES: NC1CCN(C1)c1ccccc1
• InChI: InChI=1S/C10H14N2/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2
• InChIKey: SFMJIPNTKASYFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpyrrolidin-3-amine
• IUPAC Traditional name: 1-phenylpyrrolidin-3-amine
• Synonyms: 1-phenylpyrrolidin-3-amine; 1-phenyl-3-pyrrolidinamine

Database IDs

• CAS Number: 18471-41-5
• MDL Number: MFCD11640906
• PubChem SID: 164327348
• PubChem CID: 11400952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.779406
• LogD (pH = 7.4): -1.1023017
• Log P: 1.2325077
• Molar Refractivity: 51.003 cm^3
• Polarizability: 19.658644 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.165

Product Information

• Purity: 95%