4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol

C14H11BrF3NO — CID 60790628

IUPAC4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H11BrF3NO/c15-10-3-6-13(12(7-10)14(16,17)18)19-8-9-1-4-11(20)5-2-9/h1-7,19-20H,8H2
InChIKeyUHPVCGGHQGGNAY-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.79
Rot. Bonds3

About 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol

4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 60790628) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
PubChem CID60790628
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H11BrF3NO/c15-10-3-6-13(12(7-10)14(16,17)18)19-8-9-1-4-11(20)5-2-9/h1-7,19-20H,8H2
InChIKeyUHPVCGGHQGGNAY-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
4-bromo-N-[(4-iodophenyl)methyl]-2-(trifluoromethyl)aniline
CID 65477978
4-bromo-N-[(4-ethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 60791438
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 60886097
4-bromo-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559
4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
CID 59557088
3-[[4-bromo-2-(trifluoromethyl)anilino]methyl]benzonitrile
CID 60792859
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]acetate
CID 60790807
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070
4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline
CID 152566871

Frequently Asked Questions

What is the IUPAC name of 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol (CID 60790628) is 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol is Oc1ccc(CNc2ccc(Br)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is UHPVCGGHQGGNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-10-3-6-13(12(7-10)14(16,17)18)19-8-9-1-4-11(20)5-2-9/h1-7,19-20H,8H2.
What are the key properties of 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol?
4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 346.15 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 60790628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).