methyl[2-(naphthalen-1-yl)ethyl]amine

• ChemBase ID: 267344
• Molecular Formular: C13H15N
• Molecular Mass: 185.2649
• Monoisotopic Mass: 185.12044949
• SMILES: c12c(cccc1cccc2)CCNC
• Canonical SMILES: CNCCc1cccc2c1cccc2
• InChI: InChI=1S/C13H15N/c1-14-10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10H2,1H3
• InChIKey: YGXDJFKCOBYLFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(naphthalen-1-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(naphthalen-1-yl)ethyl]amine
• Synonyms: methyl[2-(naphthalen-1-yl)ethyl]amine

Database IDs

• MDL Number: MFCD11105977
• PubChem SID: 164323254
• PubChem CID: 14913728

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.41812658
• LogD (pH = 7.4): 0.12750788
• Log P: 2.8097327
• Molar Refractivity: 60.5112 cm^3
• Polarizability: 25.003416 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.753

Product Information

• Purity: 95%