2-[3-(trifluoromethyl)phenyl]propan-2-amine

• ChemBase ID: 269081
• Molecular Formular: C10H12F3N
• Molecular Mass: 203.2041896
• Monoisotopic Mass: 203.09218405
• SMILES: C(c1cc(C(N)(C)C)ccc1)(F)(F)F
• Canonical SMILES: CC(c1cccc(c1)C(F)(F)F)(N)C
• InChI: InChI=1S/C10H12F3N/c1-9(2,14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,14H2,1-2H3
• InChIKey: YEGWNHBRMASMGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(trifluoromethyl)phenyl]propan-2-amine
• IUPAC Traditional name: 2-[3-(trifluoromethyl)phenyl]propan-2-amine
• Synonyms: 2-[3-(trifluoromethyl)phenyl]propan-2-amine

Database IDs

• CAS Number: 153390-61-5
• MDL Number: MFCD11899111
• PubChem SID: 164324991
• PubChem CID: 19425273

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.33873525
• LogD (pH = 7.4): 0.3222013
• Log P: 2.6740143
• Molar Refractivity: 49.5621 cm^3
• Polarizability: 18.406359 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.685

Product Information

• Purity: 95%; 98%