1-(dimethylamino)propan-2-yl 1-phenylcyclopentane-1-carboxylate hydrochloride

• ChemBase ID: 192020
• Molecular Formular: C17H26ClNO2
• Molecular Mass: 311.84684
• Monoisotopic Mass: 311.16520676
• SMILES: C(=O)(C1(c2ccccc2)CCCC1)OC(CN(C)C)C.Cl
• Canonical SMILES: CC(OC(=O)C1(CCCC1)c1ccccc1)CN(C)C.Cl
• InChI: InChI=1S/C17H25NO2.ClH/c1-14(13-18(2)3)20-16(19)17(11-7-8-12-17)15-9-5-4-6-10-15;/h4-6,9-10,14H,7-8,11-13H2,1-3H3;1H
• InChIKey: MQFCXCPYWLPFEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylamino)propan-2-yl 1-phenylcyclopentane-1-carboxylate hydrochloride
• IUPAC Traditional name: 1-(dimethylamino)propan-2-yl 1-phenylcyclopentane-1-carboxylate hydrochloride

Database IDs

• PubChem SID: 164247930
• PubChem CID: 52993735

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.72748595
• LogD (pH = 7.4): 2.4469965
• Log P: 3.7165198
• Molar Refractivity: 81.0479 cm^3
• Polarizability: 32.153824 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds