N-(naphthalen-2-ylmethyl)cyclopropanamine

• ChemBase ID: 255599
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: C1(CC1)NCc1cc2c(cc1)cccc2
• Canonical SMILES: c1ccc2c(c1)cc(cc2)CNC1CC1
• InChI: InChI=1S/C14H15N/c1-2-4-13-9-11(5-6-12(13)3-1)10-15-14-7-8-14/h1-6,9,14-15H,7-8,10H2
• InChIKey: KLEUEPQGQDNMNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-2-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(naphthalen-2-ylmethyl)cyclopropanamine
• Synonyms: N-(naphthalen-2-ylmethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD09045980
• PubChem SID: 164311509
• PubChem CID: 16773623

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18754272
• LogD (pH = 7.4): 0.90082747
• Log P: 2.986636
• Molar Refractivity: 62.9674 cm^3
• Polarizability: 26.174767 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.038

Product Information

• Purity: 95%