ethyl({1-[4-(3-methoxyphenyl)phenyl]ethyl})amine

• ChemBase ID: 238092
• Molecular Formular: C17H21NO
• Molecular Mass: 255.35474
• Monoisotopic Mass: 255.1623143
• SMILES: c1(c2ccc(cc2)C(NCC)C)cc(OC)ccc1
• Canonical SMILES: CCNC(c1ccc(cc1)c1cccc(c1)OC)C
• InChI: InChI=1S/C17H21NO/c1-4-18-13(2)14-8-10-15(11-9-14)16-6-5-7-17(12-16)19-3/h5-13,18H,4H2,1-3H3
• InChIKey: DHBPXIAWWNHYCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl({1-[4-(3-methoxyphenyl)phenyl]ethyl})amine
• IUPAC Traditional name: ethyl({1-[4-(3-methoxyphenyl)phenyl]ethyl})amine
• Synonyms: ethyl({1-[4-(3-methoxyphenyl)phenyl]ethyl})amine

Database IDs

• MDL Number: MFCD12860733
• PubChem SID: 164294002
• PubChem CID: 61032596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.589389
• LogD (pH = 7.4): 1.4562457
• Log P: 3.7945318
• Molar Refractivity: 80.0728 cm^3
• Polarizability: 32.824505 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.155

Product Information

• Purity: 95%