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

• ChemBase ID: 201276
• Molecular Formular: C20H29NO2
• Molecular Mass: 315.44976
• Monoisotopic Mass: 315.21982917
• SMILES: c1(occc1)C(C(C)C)CCNCc1ccc(OC(C)C)cc1
• Canonical SMILES: CC(Oc1ccc(cc1)CNCCC(c1ccco1)C(C)C)C
• InChI: InChI=1S/C20H29NO2/c1-15(2)19(20-6-5-13-22-20)11-12-21-14-17-7-9-18(10-8-17)23-16(3)4/h5-10,13,15-16,19,21H,11-12,14H2,1-4H3
• InChIKey: MGXRJIVFQMYICW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257186
• PubChem CID: 4316152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4047774
• LogD (pH = 7.4): 2.3087413
• Log P: 4.6059093
• Molar Refractivity: 95.0713 cm^3
• Polarizability: 37.34452 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