2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine

C15H12ClF4N — CID 107288838

IUPAC2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccccc1Cl)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H12ClF4N/c16-12-4-2-1-3-9(12)8-14(21)10-5-6-11(13(17)7-10)15(18,19)20/h1-7,14H,8,21H2
InChIKeyJKKMUIUXJFUZLG-UHFFFAOYSA-N
MW317.71 g/mol
LogP4.74
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine

2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107288838) has the molecular formula C15H12ClF4N and a molecular weight of 317.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID107288838
Molecular FormulaC15H12ClF4N
Molecular Weight317.71 g/mol
Exact Mass317.06
IUPAC Name2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccccc1Cl)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H12ClF4N/c16-12-4-2-1-3-9(12)8-14(21)10-5-6-11(13(17)7-10)15(18,19)20/h1-7,14H,8,21H2
InChIKeyJKKMUIUXJFUZLG-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288822
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine
CID 107288851
(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107291671
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171229067

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine (CID 107288838) is 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine is NC(Cc1ccccc1Cl)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JKKMUIUXJFUZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4N/c16-12-4-2-1-3-9(12)8-14(21)10-5-6-11(13(17)7-10)15(18,19)20/h1-7,14H,8,21H2.
What are the key properties of 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine?
2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 317.71 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107288838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).