1-(3,4-dichlorophenyl)-3-phenylpropan-1-amine

• ChemBase ID: 263950
• Molecular Formular: C15H15Cl2N
• Molecular Mass: 280.1923
• Monoisotopic Mass: 279.05815485
• SMILES: c1(cc(ccc1Cl)C(CCc1ccccc1)N)Cl
• Canonical SMILES: NC(c1ccc(c(c1)Cl)Cl)CCc1ccccc1
• InChI: InChI=1S/C15H15Cl2N/c16-13-8-7-12(10-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9,18H2
• InChIKey: AAMHAESODPYXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dichlorophenyl)-3-phenylpropan-1-amine
• IUPAC Traditional name: 1-(3,4-dichlorophenyl)-3-phenylpropan-1-amine
• Synonyms: 1-(3,4-dichlorophenyl)-3-phenylpropan-1-amine

Database IDs

• MDL Number: MFCD03078637
• PubChem SID: 164319860
• PubChem CID: 24258966

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8273689
• LogD (pH = 7.4): 2.6838267
• Log P: 4.8245735
• Molar Refractivity: 77.7798 cm^3
• Polarizability: 30.650255 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.656

Product Information

• Purity: 95%