1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol

C12H15BrF3NO — CID 79390821

IUPAC1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H15BrF3NO/c1-11(2,18)7-17(3)10-5-4-8(13)6-9(10)12(14,15)16/h4-6,18H,7H2,1-3H3
InChIKeyWJMYQNXRHNODFR-UHFFFAOYSA-N
MW326.16 g/mol
LogP3.67
Rot. Bonds3

About 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol

1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol (PubChem CID 79390821) has the molecular formula C12H15BrF3NO and a molecular weight of 326.16 g/mol. Its IUPAC name is 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
PubChem CID79390821
Molecular FormulaC12H15BrF3NO
Molecular Weight326.16 g/mol
Exact Mass325.03
IUPAC Name1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H15BrF3NO/c1-11(2,18)7-17(3)10-5-4-8(13)6-9(10)12(14,15)16/h4-6,18H,7H2,1-3H3
InChIKeyWJMYQNXRHNODFR-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol
CID 82970441
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 60886097
2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol
CID 65483629
2-[4-bromo-N-propan-2-yl-2-(trifluoromethyl)anilino]acetic acid
CID 65484967
1-[3-bromo-4-[(2-hydroxy-2-methylpropyl)-methylamino]phenyl]ethanone
CID 79387300
5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257817
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
4-bromo-1-(2-isocyanopropan-2-yl)-2-(trifluoromethyl)benzene
CID 58764102
N-[4-bromo-2-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 54918575
3-[5-bromo-N-propan-2-yl-2-(trifluoromethyl)anilino]propan-1-ol
CID 107289791
4-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 75509763
2-[5-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 107285503

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol (CID 79390821) is 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol?
The InChIKey is WJMYQNXRHNODFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NO/c1-11(2,18)7-17(3)10-5-4-8(13)6-9(10)12(14,15)16/h4-6,18H,7H2,1-3H3.
What are the key properties of 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol?
1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol has a molecular weight of 326.16 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).