2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol

C12H13BrF3NO — CID 107286259

IUPAC2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol
SMILESOC(CNc1cc(Br)ccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H13BrF3NO/c13-8-3-4-9(12(14,15)16)10(5-8)17-6-11(18)7-1-2-7/h3-5,7,11,17-18H,1-2,6H2
InChIKeyNJUROHVPLGYUON-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.65
Rot. Bonds4

About 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol

2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol (PubChem CID 107286259) has the molecular formula C12H13BrF3NO and a molecular weight of 324.14 g/mol. Its IUPAC name is 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol
PubChem CID107286259
Molecular FormulaC12H13BrF3NO
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC Name2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol
SMILESOC(CNc1cc(Br)ccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H13BrF3NO/c13-8-3-4-9(12(14,15)16)10(5-8)17-6-11(18)7-1-2-7/h3-5,7,11,17-18H,1-2,6H2
InChIKeyNJUROHVPLGYUON-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
CID 65342466
1-[5-bromo-2-(trifluoromethyl)anilino]pentan-2-ol
CID 107286594
3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 106171079
5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
CID 107286537
5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline
CID 107286561
5-bromo-N-[(3-methylcyclopentyl)methyl]-2-(trifluoromethyl)aniline
CID 107414090
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
4-[5-bromo-2-(trifluoromethyl)anilino]butan-1-ol
CID 107286675
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 79098279
5-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
CID 107286281
N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 107286818

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol?
The IUPAC name of 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol (CID 107286259) is 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol?
The canonical SMILES for 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol is OC(CNc1cc(Br)ccc1C(F)(F)F)C1CC1.
What is the InChIKey of 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol?
The InChIKey is NJUROHVPLGYUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO/c13-8-3-4-9(12(14,15)16)10(5-8)17-6-11(18)7-1-2-7/h3-5,7,11,17-18H,1-2,6H2.
What are the key properties of 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol?
2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol has a molecular weight of 324.14 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol is sourced from PubChem (CID 107286259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).