N-ethylnaphthalen-2-amine

• ChemBase ID: 266203
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: c12cc(NCC)ccc1cccc2
• Canonical SMILES: CCNc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H13N/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3
• InChIKey: AHEJURHRYJPYST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylnaphthalen-2-amine
• IUPAC Traditional name: 2-(ethylamino)naphthalene
• Synonyms: N-ethylnaphthalen-2-amine

Database IDs

• MDL Number: MFCD00021600
• PubChem SID: 164322113
• PubChem CID: 75530

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7357287
• LogD (pH = 7.4): 2.7915483
• Log P: 2.7923086
• Molar Refractivity: 57.4506 cm^3
• Polarizability: 22.81669 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.344

Product Information

• Purity: 95%