1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine

C15H13ClF3N — CID 168665303

IUPAC1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3N/c1-9(20)10-2-4-11(5-3-10)13-7-6-12(16)8-14(13)15(17,18)19/h2-9H,20H2,1H3
InChIKeyBGFGJELHJTXJES-UHFFFAOYSA-N
MW299.72 g/mol
LogP5.05
Rot. Bonds2

About 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine

1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine (PubChem CID 168665303) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine
PubChem CID168665303
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3N/c1-9(20)10-2-4-11(5-3-10)13-7-6-12(16)8-14(13)15(17,18)19/h2-9H,20H2,1H3
InChIKeyBGFGJELHJTXJES-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.72
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 171242192
1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
CID 168665288
4-(1-aminoethyl)-2-(4-chlorophenyl)phenol
CID 115046197
1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 168665296
1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride
CID 168665304
5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358482
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242193
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine?
The IUPAC name of 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine (CID 168665303) is 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine?
The canonical SMILES for 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine is CC(N)c1ccc(-c2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine?
The InChIKey is BGFGJELHJTXJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-9(20)10-2-4-11(5-3-10)13-7-6-12(16)8-14(13)15(17,18)19/h2-9H,20H2,1H3.
What are the key properties of 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine?
1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine has a molecular weight of 299.72 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 168665303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).