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

• ChemBase ID: 262131
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(C(c2ccccc2)C)CC(CC1)NCC
• Canonical SMILES: CCNC1CCN(C1)C(c1ccccc1)C
• InChI: InChI=1S/C14H22N2/c1-3-15-14-9-10-16(11-14)12(2)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3
• InChIKey: KYHJIZBPFBUCSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11640763
• PubChem SID: 164318041
• PubChem CID: 43315257

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.206484
• LogD (pH = 7.4): -0.42584452
• Log P: 2.2718241
• Molar Refractivity: 69.0591 cm^3
• Polarizability: 27.446856 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.557

Product Information

• Purity: 95%