[3-(furan-2-yl)-6-methylheptyl]({[3-methoxy-4-(propan-2-yloxy)phenyl]methyl})amine

• ChemBase ID: 212224
• Molecular Formular: C23H35NO3
• Molecular Mass: 373.5289
• Monoisotopic Mass: 373.26169399
• SMILES: c1(occc1)C(CCC(C)C)CCNCc1cc(c(OC(C)C)cc1)OC
• Canonical SMILES: COc1cc(CNCCC(c2ccco2)CCC(C)C)ccc1OC(C)C
• InChI: InChI=1S/C23H35NO3/c1-17(2)8-10-20(21-7-6-14-26-21)12-13-24-16-19-9-11-22(27-18(3)4)23(15-19)25-5/h6-7,9,11,14-15,17-18,20,24H,8,10,12-13,16H2,1-5H3
• InChIKey: JZJWXNFEZLTJHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)-6-methylheptyl]({[3-methoxy-4-(propan-2-yloxy)phenyl]methyl})amine
• IUPAC Traditional name: [3-(furan-2-yl)-6-methylheptyl][(4-isopropoxy-3-methoxyphenyl)methyl]amine

Database IDs

• PubChem SID: 164268134
• PubChem CID: 4964432

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1507814
• LogD (pH = 7.4): 3.1652935
• Log P: 5.337375
• Molar Refractivity: 110.7365 cm^3
• Polarizability: 43.53592 Å^3
• Polar Surface Area: 43.63 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds