[(3,4-dimethoxyphenyl)methyl]({4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl})amine

• ChemBase ID: 194558
• Molecular Formular: C24H35NO3
• Molecular Mass: 385.5396
• Monoisotopic Mass: 385.26169399
• SMILES: c1(c(ccc(c1)CNCCC(c1ccc(OC(C)C)cc1)C(C)C)OC)OC
• Canonical SMILES: COc1cc(CNCCC(c2ccc(cc2)OC(C)C)C(C)C)ccc1OC
• InChI: InChI=1S/C24H35NO3/c1-17(2)22(20-8-10-21(11-9-20)28-18(3)4)13-14-25-16-19-7-12-23(26-5)24(15-19)27-6/h7-12,15,17-18,22,25H,13-14,16H2,1-6H3
• InChIKey: AKKNPBZYGGQDLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl]({4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl})amine
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl][3-(4-isopropoxyphenyl)-4-methylpentyl]amine

Database IDs

• PubChem SID: 164250468
• PubChem CID: 2965343

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.106824
• LogD (pH = 7.4): 3.0079725
• Log P: 5.308274
• Molar Refractivity: 115.5298 cm^3
• Polarizability: 45.519043 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds