1-(1-phenylethyl)pyrrolidin-3-amine

• ChemBase ID: 262748
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(C(c2ccccc2)C)CC(CC1)N
• Canonical SMILES: NC1CCN(C1)C(c1ccccc1)C
• InChI: InChI=1S/C12H18N2/c1-10(11-5-3-2-4-6-11)14-8-7-12(13)9-14/h2-6,10,12H,7-9,13H2,1H3
• InChIKey: UPDDLDNYCOENHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-phenylethyl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(1-phenylethyl)pyrrolidin-3-amine
• Synonyms: 1-(1-phenylethyl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD11640767
• PubChem SID: 164318658
• PubChem CID: 43315262

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2298243
• LogD (pH = 7.4): -1.0557522
• Log P: 1.4824357
• Molar Refractivity: 59.5359 cm^3
• Polarizability: 23.752867 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.742

Product Information

• Purity: 95%