N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 274831
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c12c(CCC(C1)NC)cccc2
• Canonical SMILES: CNC1CCc2c(C1)cccc2
• InChI: InChI=1S/C11H15N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11-12H,6-8H2,1H3
• InChIKey: NZARMFRLPAOETR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

Database IDs

• MDL Number: MFCD09835327
• PubChem SID: 164330741
• PubChem CID: 13579644

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.86509603
• LogD (pH = 7.4): -0.35821366
• Log P: 2.36448
• Molar Refractivity: 51.6418 cm^3
• Polarizability: 20.229382 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.023

Product Information

• Purity: 95%