4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline

C15H13ClF3N — CID 43104527

IUPAC4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3N/c1-10(20-14-8-6-13(16)7-9-14)11-2-4-12(5-3-11)15(17,18)19/h2-10,20H,1H3
InChIKeyOTAAKAMASHFUGL-UHFFFAOYSA-N
MW299.72 g/mol
LogP5.53
Rot. Bonds3

About 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline

4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 43104527) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID43104527
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3N/c1-10(20-14-8-6-13(16)7-9-14)11-2-4-12(5-3-11)15(17,18)19/h2-10,20H,1H3
InChIKeyOTAAKAMASHFUGL-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.72
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline
CID 62649270
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476341

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline (CID 43104527) is 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline is CC(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is OTAAKAMASHFUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-10(20-14-8-6-13(16)7-9-14)11-2-4-12(5-3-11)15(17,18)19/h2-10,20H,1H3.
What are the key properties of 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline?
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline has a molecular weight of 299.72 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43104527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).