3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propan-1-amine

• ChemBase ID: 191326
• Molecular Formular: C19H25NO2
• Molecular Mass: 299.4073
• Monoisotopic Mass: 299.18852905
• SMILES: c1(C(c2ccc(OC(C)C)cc2)CCN)c(OC)cccc1
• Canonical SMILES: NCCC(c1ccccc1OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C19H25NO2/c1-14(2)22-16-10-8-15(9-11-16)17(12-13-20)18-6-4-5-7-19(18)21-3/h4-11,14,17H,12-13,20H2,1-3H3
• InChIKey: PMQPGWCCKNSQFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propan-1-amine
• IUPAC Traditional name: 3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propan-1-amine

Database IDs

• PubChem SID: 164247236
• PubChem CID: 4419239

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6916718
• LogD (pH = 7.4): 1.2265342
• Log P: 3.7111077
• Molar Refractivity: 90.6248 cm^3
• Polarizability: 35.64369 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds