N-[1-(naphthalen-2-yl)ethyl]cyclopropanamine hydrochloride

• ChemBase ID: 262765
• Molecular Formular: C15H18ClN
• Molecular Mass: 247.76312
• Monoisotopic Mass: 247.11277726
• SMILES: N(C1CC1)C(c1cc2c(cc1)cccc2)C.Cl
• Canonical SMILES: CC(c1ccc2c(c1)cccc2)NC1CC1.Cl
• InChI: InChI=1S/C15H17N.ClH/c1-11(16-15-8-9-15)13-7-6-12-4-2-3-5-14(12)10-13;/h2-7,10-11,15-16H,8-9H2,1H3;1H
• InChIKey: FIMGPNAOTNGWLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(naphthalen-2-yl)ethyl]cyclopropanamine hydrochloride
• IUPAC Traditional name: N-[1-(naphthalen-2-yl)ethyl]cyclopropanamine hydrochloride
• Synonyms: N-[1-(naphthalen-2-yl)ethyl]cyclopropanamine hydrochloride

Database IDs

• MDL Number: MFCD12913242
• PubChem SID: 164318675
• PubChem CID: 45792155

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.21764675
• LogD (pH = 7.4): 1.2388821
• Log P: 3.4032109
• Molar Refractivity: 67.3862 cm^3
• Polarizability: 28.019356 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.577

Product Information

• Purity: 95%