2-cyclopentyl-1-phenylethan-1-amine hydrochloride

• ChemBase ID: 242484
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: C(CC1CCCC1)(c1ccccc1)N.Cl
• Canonical SMILES: NC(c1ccccc1)CC1CCCC1.Cl
• InChI: InChI=1S/C13H19N.ClH/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12;/h1-3,8-9,11,13H,4-7,10,14H2;1H
• InChIKey: GGSNPZMXWJBCOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-1-phenylethan-1-amine hydrochloride
• IUPAC Traditional name: 2-cyclopentyl-1-phenylethanamine hydrochloride
• Synonyms: 2-cyclopentyl-1-phenylethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22566053
• PubChem SID: 164298394
• PubChem CID: 71757027

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.18713202
• LogD (pH = 7.4): 0.918863
• Log P: 3.1951108
• Molar Refractivity: 60.0236 cm^3
• Polarizability: 24.084751 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 299 - 301°C
• Hydrophobicity(logP): 3.494

Product Information

• Purity: 95%