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

• ChemBase ID: 194489
• Molecular Formular: C20H29NO2
• Molecular Mass: 315.44976
• Monoisotopic Mass: 315.21982917
• SMILES: c1(occc1)CNCCC(c1ccc(OC(C)C)cc1)C(C)C
• Canonical SMILES: CC(Oc1ccc(cc1)C(C(C)C)CCNCc1ccco1)C
• InChI: InChI=1S/C20H29NO2/c1-15(2)20(11-12-21-14-19-6-5-13-22-19)17-7-9-18(10-8-17)23-16(3)4/h5-10,13,15-16,20-21H,11-12,14H2,1-4H3
• InChIKey: SLHXSFWUWOTWKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250399
• PubChem CID: 4358916

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7492136
• LogD (pH = 7.4): 3.3403115
• Log P: 4.6838627
• Molar Refractivity: 94.9943 cm^3
• Polarizability: 37.34344 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds