2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol

C14H11ClF3NO — CID 28950675

IUPAC2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C14H11ClF3NO/c15-11-6-3-5-10(14(16,17)18)13(11)19-8-9-4-1-2-7-12(9)20/h1-7,19-20H,8H2
InChIKeyDKPLANLJXPJCLM-UHFFFAOYSA-N
MW301.69 g/mol
LogP4.68
Rot. Bonds3

About 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol

2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 28950675) has the molecular formula C14H11ClF3NO and a molecular weight of 301.69 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol
PubChem CID28950675
Molecular FormulaC14H11ClF3NO
Molecular Weight301.69 g/mol
Exact Mass301.05
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C14H11ClF3NO/c15-11-6-3-5-10(14(16,17)18)13(11)19-8-9-4-1-2-7-12(9)20/h1-7,19-20H,8H2
InChIKeyDKPLANLJXPJCLM-UHFFFAOYSA-N
XLogP4.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 28950569
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414844
2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 63422127
4-[[2-chloro-6-(trifluoromethyl)anilino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103230248
3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
CID 43152515
2-chloro-N-[(3-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)aniline
CID 28950688
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-6-(trifluoromethyl)aniline
CID 63487816
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
5-[[2-chloro-6-(trifluoromethyl)anilino]methyl]furan-3-carboxylic acid
CID 104608151
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
N-[(3-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)aniline
CID 79698935

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol (CID 28950675) is 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol is Oc1ccccc1CNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is DKPLANLJXPJCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-11-6-3-5-10(14(16,17)18)13(11)19-8-9-4-1-2-7-12(9)20/h1-7,19-20H,8H2.
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol?
2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 301.69 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 28950675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).