2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol

C11H13BrF3NO — CID 65483629

IUPAC2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol
SMILESCCN(CCO)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-2-16(5-6-17)10-4-3-8(12)7-9(10)11(13,14)15/h3-4,7,17H,2,5-6H2,1H3
InChIKeyHAIHAWAMZTXCTI-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.29
Rot. Bonds4

About 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol

2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol (PubChem CID 65483629) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol
PubChem CID65483629
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol
SMILESCCN(CCO)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-2-16(5-6-17)10-4-3-8(12)7-9(10)11(13,14)15/h3-4,7,17H,2,5-6H2,1H3
InChIKeyHAIHAWAMZTXCTI-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol 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-[5-bromo-N-butyl-2-(trifluoromethyl)anilino]ethanol
CID 107289794
ethyl 2-[4-bromo-N-propyl-2-(trifluoromethyl)anilino]acetate
CID 65483634
4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106641749
1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 79390821
4-[bis(2-hydroxyethyl)amino]-3-(trifluoromethyl)benzoic acid
CID 22590154
2-(2-amino-4-bromo-N-propylanilino)ethanol
CID 61424928
4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 107332877
2-(5-bromo-N-ethyl-2-nitroanilino)ethanol
CID 65343582
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
CID 54879996
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596
3-[5-bromo-N-ethyl-2-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 107285509
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol?
The IUPAC name of 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol (CID 65483629) is 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol?
The canonical SMILES for 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol is CCN(CCO)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol?
The InChIKey is HAIHAWAMZTXCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-2-16(5-6-17)10-4-3-8(12)7-9(10)11(13,14)15/h3-4,7,17H,2,5-6H2,1H3.
What are the key properties of 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol?
2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol has a molecular weight of 312.13 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol is sourced from PubChem (CID 65483629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).