2-methyl-3-(naphthalen-1-yl)propan-1-amine

• ChemBase ID: 308599
• Molecular Formular: C14H17N
• Molecular Mass: 199.29148
• Monoisotopic Mass: 199.13609955
• SMILES: c1(c2c(ccc1)cccc2)CC(CN)C
• Canonical SMILES: NCC(Cc1cccc2c1cccc2)C
• InChI: InChI=1S/C14H17N/c1-11(10-15)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11H,9-10,15H2,1H3
• InChIKey: LKMDBJJBQCVRCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(naphthalen-1-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-3-(naphthalen-1-yl)propan-1-amine
• Synonyms: 2-methyl-3-(1-naphthyl)-1-propanamine

Database IDs

• CAS Number: 1123169-44-7
• MDL Number: MFCD12198450

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.16604051
• LogD (pH = 7.4): 0.6731176
• Log P: 3.1866937
• Molar Refractivity: 64.8092 cm^3
• Polarizability: 26.84809 Å^3
• Polar Surface Area: 26.02 Å^2