3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol

C16H15ClF3NO — CID 142657736

IUPAC3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol
SMILESOCCCc1ccccc1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H15ClF3NO/c17-13-8-7-12(16(18,19)20)10-15(13)21-14-6-2-1-4-11(14)5-3-9-22/h1-2,4,6-8,10,21-22H,3,5,9H2
InChIKeyAGYPJHXPVTVVBT-UHFFFAOYSA-N
MW329.75 g/mol
LogP5.03
Rot. Bonds5

About 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol

3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol (PubChem CID 142657736) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol
PubChem CID142657736
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol
SMILESOCCCc1ccccc1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H15ClF3NO/c17-13-8-7-12(16(18,19)20)10-15(13)21-14-6-2-1-4-11(14)5-3-9-22/h1-2,4,6-8,10,21-22H,3,5,9H2
InChIKeyAGYPJHXPVTVVBT-UHFFFAOYSA-N
XLogP5.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.75
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 155925897
2-[2,5-bis(trifluoromethyl)anilino]phenol
CID 155290288
3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol
CID 145014775
4-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline
CID 29285978
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108984915
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 115982770
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol?
The IUPAC name of 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol (CID 142657736) is 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol?
The canonical SMILES for 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol is OCCCc1ccccc1Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol?
The InChIKey is AGYPJHXPVTVVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO/c17-13-8-7-12(16(18,19)20)10-15(13)21-14-6-2-1-4-11(14)5-3-9-22/h1-2,4,6-8,10,21-22H,3,5,9H2.
What are the key properties of 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol?
3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol has a molecular weight of 329.75 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol is sourced from PubChem (CID 142657736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).