2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine

C17H18F3N — CID 81348788

IUPAC2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine
SMILESCc1ccc([C@@H](C)NC(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-12-8-10-14(11-9-12)13(2)21-16(17(18,19)20)15-6-4-3-5-7-15/h3-11,13,16,21H,1-2H3/t13-,16?/m1/s1
InChIKeyDVAWTGAFHCSKSQ-JBZHPUCOSA-N
MW293.33 g/mol
LogP4.95
Rot. Bonds4

About 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine

2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine (PubChem CID 81348788) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine
PubChem CID81348788
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine
SMILESCc1ccc([C@@H](C)NC(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N/c1-12-8-10-14(11-9-12)13(2)21-16(17(18,19)20)15-6-4-3-5-7-15/h3-11,13,16,21H,1-2H3/t13-,16?/m1/s1
InChIKeyDVAWTGAFHCSKSQ-JBZHPUCOSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[(1R)-1-(2-methylphenyl)ethyl]-1-phenylethanamine
CID 81364335
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-1-phenylethanamine
CID 81379499
N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693281
3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 81348350
1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene
CID 86327346
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
(2S)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino]pentanoic acid
CID 118940444
4,4,4-trifluoro-2-(1-phenylethylamino)-3-(trifluoromethyl)butan-1-ol
CID 23585140

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine (CID 81348788) is 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine is Cc1ccc([C@@H](C)NC(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine?
The InChIKey is DVAWTGAFHCSKSQ-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12-8-10-14(11-9-12)13(2)21-16(17(18,19)20)15-6-4-3-5-7-15/h3-11,13,16,21H,1-2H3/t13-,16?/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine?
2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 81348788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).