4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol

C15H13ClF3NO — CID 43245794

IUPAC4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol
SMILESCC(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(O)cc1
InChIInChI=1S/C15H13ClF3NO/c1-9(10-2-5-12(21)6-3-10)20-11-4-7-14(16)13(8-11)15(17,18)19/h2-9,20-21H,1H3
InChIKeyJPTAJMGEOVUAPQ-UHFFFAOYSA-N
MW315.72 g/mol
LogP5.24
Rot. Bonds3

About 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol

4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol (PubChem CID 43245794) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol
PubChem CID43245794
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol
SMILESCC(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(O)cc1
InChIInChI=1S/C15H13ClF3NO/c1-9(10-2-5-12(21)6-3-10)20-11-4-7-14(16)13(8-11)15(17,18)19/h2-9,20-21H,1H3
InChIKeyJPTAJMGEOVUAPQ-UHFFFAOYSA-N
XLogP5.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.72
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 43680401
4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline
CID 43363314
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 63455967
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
CID 63455608
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100642846
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol?
The IUPAC name of 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol (CID 43245794) is 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol.
What is the SMILES notation for 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol?
The canonical SMILES for 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol is CC(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol?
The InChIKey is JPTAJMGEOVUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-9(10-2-5-12(21)6-3-10)20-11-4-7-14(16)13(8-11)15(17,18)19/h2-9,20-21H,1H3.
What are the key properties of 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol?
4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol has a molecular weight of 315.72 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol is sourced from PubChem (CID 43245794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).