[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol

C15H13ClF3NO — CID 115969616

IUPAC[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H13ClF3NO/c16-13-7-12(15(17,18)19)5-6-14(13)20-8-10-1-3-11(9-21)4-2-10/h1-7,20-21H,8-9H2
InChIKeyBHJXWMLDIKWZMM-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.46
Rot. Bonds4

About [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol

[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol (PubChem CID 115969616) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
PubChem CID115969616
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H13ClF3NO/c16-13-7-12(15(17,18)19)5-6-14(13)20-8-10-1-3-11(9-21)4-2-10/h1-7,20-21H,8-9H2
InChIKeyBHJXWMLDIKWZMM-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]-2-chloro-4-(trifluoromethyl)aniline
CID 105401243
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]benzoic acid
CID 155154139
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
CID 114493143
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
2-chloro-N-[(2-ethylphenyl)methyl]-4-(trifluoromethyl)aniline
CID 63442300
[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 81400977
[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
CID 115969675
2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 43714578
[3-[[2-bromo-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115512029
4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile
CID 29293314
N'-tert-butyl-N-[2-chloro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107445058

Frequently Asked Questions

What is the IUPAC name of [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol (CID 115969616) is [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol is OCc1ccc(CNc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol?
The InChIKey is BHJXWMLDIKWZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-13-7-12(15(17,18)19)5-6-14(13)20-8-10-1-3-11(9-21)4-2-10/h1-7,20-21H,8-9H2.
What are the key properties of [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol?
[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol has a molecular weight of 315.72 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 115969616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).