2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol

C11H13BrF3NO2 — CID 106186614

IUPAC2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO2/c1-18-6-8(5-17)16-10-4-7(12)2-3-9(10)11(13,14)15/h2-4,8,16-17H,5-6H2,1H3
InChIKeyVCULYTXSIRHWQV-UHFFFAOYSA-N
MW328.13 g/mol
LogP2.89
Rot. Bonds5

About 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol

2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol (PubChem CID 106186614) has the molecular formula C11H13BrF3NO2 and a molecular weight of 328.13 g/mol. Its IUPAC name is 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol
PubChem CID106186614
Molecular FormulaC11H13BrF3NO2
Molecular Weight328.13 g/mol
Exact Mass327.01
IUPAC Name2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO2/c1-18-6-8(5-17)16-10-4-7(12)2-3-9(10)11(13,14)15/h2-4,8,16-17H,5-6H2,1H3
InChIKeyVCULYTXSIRHWQV-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol 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-bromo-4-(trifluoromethyl)anilino]-3-methoxypropan-1-ol
CID 114155567
2-[4-bromo-2-(trifluoromethyl)anilino]-4-methylpentan-1-ol
CID 65485566
5-bromo-N-(4-methylhexan-2-yl)-2-(trifluoromethyl)aniline
CID 107286355
4-[4-bromo-2-(trifluoromethyl)anilino]-1-methoxybutan-2-ol
CID 103875738
3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 114155563
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)phenyl]-1,1-dimethylhydrazine
CID 107286484
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 107286207
2-[5-bromo-2-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 107286522
5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107286159

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol (CID 106186614) is 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol is COCC(CO)Nc1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol?
The InChIKey is VCULYTXSIRHWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO2/c1-18-6-8(5-17)16-10-4-7(12)2-3-9(10)11(13,14)15/h2-4,8,16-17H,5-6H2,1H3.
What are the key properties of 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol?
2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol has a molecular weight of 328.13 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106186614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).