(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine

C17H18F3N — CID 59906761

IUPAC(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N/c1-12(14-8-4-3-5-9-14)21-13(2)15-10-6-7-11-16(15)17(18,19)20/h3-13,21H,1-2H3/t12-,13?/m0/s1
InChIKeyOUAQIABURQTBNA-UEWDXFNNSA-N
MW293.33 g/mol
LogP5.12
Rot. Bonds4

About (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine

(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine (PubChem CID 59906761) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
PubChem CID59906761
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N/c1-12(14-8-4-3-5-9-14)21-13(2)15-10-6-7-11-16(15)17(18,19)20/h3-13,21H,1-2H3/t12-,13?/m0/s1
InChIKeyOUAQIABURQTBNA-UEWDXFNNSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.33
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103905124
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115726933
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
methyl (2S)-3-methyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]butanoate
CID 43452194
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine (CID 59906761) is (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine is CC(N[C@@H](C)c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine?
The InChIKey is OUAQIABURQTBNA-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12(14-8-4-3-5-9-14)21-13(2)15-10-6-7-11-16(15)17(18,19)20/h3-13,21H,1-2H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine?
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine has a molecular weight of 293.33 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine is sourced from PubChem (CID 59906761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).