(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C16H15ClF3N — CID 28530583

IUPAC(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C16H15ClF3N/c1-11(14-7-2-3-8-15(14)17)21-10-12-5-4-6-13(9-12)16(18,19)20/h2-9,11,21H,10H2,1H3/t11-/m0/s1
InChIKeyOMLSNOYYMHKJRF-NSHDSACASA-N
MW313.75 g/mol
LogP5.21
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 28530583) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID28530583
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C16H15ClF3N/c1-11(14-7-2-3-8-15(14)17)21-10-12-5-4-6-13(9-12)16(18,19)20/h2-9,11,21H,10H2,1H3/t11-/m0/s1
InChIKeyOMLSNOYYMHKJRF-NSHDSACASA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.75
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 43192351
ethyl (3R)-3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 7298836
(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375061
3-[[1-(2-chlorophenyl)ethylamino]methyl]benzonitrile
CID 43181376
N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43080987
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
4-[[1-(2-chlorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43181373
4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685905
2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
CID 70834368
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79437571
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 28530583) is (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is C[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is OMLSNOYYMHKJRF-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-11(14-7-2-3-8-15(14)17)21-10-12-5-4-6-13(9-12)16(18,19)20/h2-9,11,21H,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 313.75 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 28530583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).