phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

• ChemBase ID: 242513
• Molecular Formular: C17H19N
• Molecular Mass: 237.33946
• Monoisotopic Mass: 237.15174961
• SMILES: C1(c2c(CCC1)cccc2)C(c1ccccc1)N
• Canonical SMILES: NC(C1CCCc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C17H19N/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-5,7-9,11,16-17H,6,10,12,18H2
• InChIKey: JOOCWBZKFRQWBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
• IUPAC Traditional name: phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
• Synonyms: phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

Database IDs

• MDL Number: MFCD17116602
• PubChem SID: 164298423
• PubChem CID: 281467

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0243791
• LogD (pH = 7.4): 1.7721812
• Log P: 4.0311527
• Molar Refractivity: 75.8808 cm^3
• Polarizability: 29.869694 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.034

Product Information

• Purity: 95%