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

• ChemBase ID: 247106
• Molecular Formular: C13H15N
• Molecular Mass: 185.2649
• Monoisotopic Mass: 185.12044949
• SMILES: c1(c2c(ccc1)cccc2)C(NC)C
• Canonical SMILES: CNC(c1cccc2c1cccc2)C
• InChI: InChI=1S/C13H15N/c1-10(14-2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10,14H,1-2H3
• InChIKey: YYETYHLXPGYQPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09044981
• PubChem SID: 164303016
• PubChem CID: 4360589

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.28379753
• LogD (pH = 7.4): 0.38099527
• Log P: 2.9376464
• Molar Refractivity: 60.175 cm^3
• Polarizability: 25.086279 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.993

Product Information

• Purity: 95%