(2-chloroethyl)[(4-fluorophenyl)methyl]methylamine

• ChemBase ID: 285366
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: N(Cc1ccc(F)cc1)(CCCl)C
• Canonical SMILES: ClCCN(Cc1ccc(cc1)F)C
• InChI: InChI=1S/C10H13ClFN/c1-13(7-6-11)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
• InChIKey: YYHYGJBCOLTGMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethyl)[(4-fluorophenyl)methyl]methylamine
• IUPAC Traditional name: (2-chloroethyl)[(4-fluorophenyl)methyl]methylamine
• Synonyms: (2-chloroethyl)[(4-fluorophenyl)methyl]methylamine

Database IDs

• MDL Number: MFCD14661680
• PubChem SID: 180670897
• PubChem CID: 56687191

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.729572
• LogD (pH = 7.4): 2.3672805
• Log P: 2.7218344
• Molar Refractivity: 54.1604 cm^3
• Polarizability: 20.696695 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.711

Product Information

• Purity: 95%