3,3,5,5-tetramethyl-N-phenyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine

• ChemBase ID: 184647
• Molecular Formular: C20H29N
• Molecular Mass: 283.45096
• Monoisotopic Mass: 283.22999993
• SMILES: C12=C(CC(C(C1)(C)C)Nc1ccccc1)CCCC2(C)C
• Canonical SMILES: CC1(C)CC2=C(CC1Nc1ccccc1)CCCC2(C)C
• InChI: InChI=1S/C20H29N/c1-19(2)12-8-9-15-13-18(20(3,4)14-17(15)19)21-16-10-6-5-7-11-16/h5-7,10-11,18,21H,8-9,12-14H2,1-4H3
• InChIKey: XFDXUEOPQAVIDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,5,5-tetramethyl-N-phenyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine
• IUPAC Traditional name: 3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine

Database IDs

• PubChem SID: 164240557
• PubChem CID: 2828286

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.0052743
• LogD (pH = 7.4): 5.123804
• Log P: 5.1255465
• Molar Refractivity: 92.2398 cm^3
• Polarizability: 35.635513 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds