2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol

C15H13ClF3NO — CID 60898565

IUPAC2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNc1ccccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c16-12-3-1-2-4-13(12)20-9-14(21)10-5-7-11(8-6-10)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyKTQBDVZZKXWHAG-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.50
Rot. Bonds4

About 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 60898565) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID60898565
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNc1ccccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c16-12-3-1-2-4-13(12)20-9-14(21)10-5-7-11(8-6-10)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyKTQBDVZZKXWHAG-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R,S/S,R)-syn-1-((2-chlorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897483
(1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol
CID 10902809
(1S)-1-phenyl-2-(phenylamino)ethan-1-ol
CID 39243263
(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 90683351
1-Phenyl-2-(phenylamino)ethan-1-ol
CID 12434801
(1R)-2-anilino-1-phenylethanol
CID 34003102
N1-(2-chlorophenyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764244
(1R)-2-(2-fluoroanilino)-1-phenylethanol
CID 39247919
1-(4-Chlorophenyl)-2-(4-methylanilino)ethanol
CID 4397252
2-(4-Chloroanilino)-1-phenylethanol
CID 13351410
2-[4-(3-Chlorophenyl)piperazino]-1-[4-(trifluoromethyl)phenyl]-1-ethanol
CID 2767006
3-[(4-Chlorophenyl)amino]-1,3-diphenylpropan-1-ol
CID 12936082

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 60898565) is 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CNc1ccccc1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is KTQBDVZZKXWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-12-3-1-2-4-13(12)20-9-14(21)10-5-7-11(8-6-10)15(17,18)19/h1-8,14,20-21H,9H2.
What are the key properties of 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 315.72 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60898565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).