1-phenyl-1-(pyrrolidin-1-yl)propan-2-amine

• ChemBase ID: 253519
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(C(c2ccccc2)C(N)C)CCCC1
• Canonical SMILES: CC(C(c1ccccc1)N1CCCC1)N
• InChI: InChI=1S/C13H20N2/c1-11(14)13(15-9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,14H2,1H3
• InChIKey: CNACIQJCVBJSFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-1-(pyrrolidin-1-yl)propan-2-amine
• IUPAC Traditional name: 1-phenyl-1-(pyrrolidin-1-yl)propan-2-amine
• Synonyms: 1-methyl-2-phenyl-2-pyrrolidin-1-ylethylamine

Database IDs

• MDL Number: MFCD09040558
• PubChem SID: 164309429
• PubChem CID: 16227870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8411784
• LogD (pH = 7.4): -0.61806893
• Log P: 1.9997983
• Molar Refractivity: 64.1805 cm^3
• Polarizability: 25.599588 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.151

Product Information

• Purity: 95%