3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline

C10H11BrF3N — CID 65491386

IUPAC3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
SMILESCC(C)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-6(2)15-9-4-7(10(12,13)14)3-8(11)5-9/h3-6,15H,1-2H3
InChIKeyOPEBLNCSOOICKW-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.29
Rot. Bonds2

About 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline

3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline (PubChem CID 65491386) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
PubChem CID65491386
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
SMILESCC(C)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-6(2)15-9-4-7(10(12,13)14)3-8(11)5-9/h3-6,15H,1-2H3
InChIKeyOPEBLNCSOOICKW-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline 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

3-bromo-N-but-3-en-2-yl-5-(trifluoromethyl)aniline
CID 107907159
3-bromo-N-(1,1-dimethoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 65490001
3-bromo-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)aniline
CID 65489006
3-bromo-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)aniline
CID 65490812
3-bromo-N-(1-ethoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 113493159
2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
CID 65489625
3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline
CID 65491388
methyl 3-[3-bromo-5-(trifluoromethyl)anilino]butanoate
CID 65489041
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
CID 65490818
3-[3-bromo-5-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898660
3-bromo-N-(2-ethylbutyl)-5-(trifluoromethyl)aniline
CID 65491796
1-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-2-(2-methylpropyl)guanidine
CID 116515414

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline?
The IUPAC name of 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline (CID 65491386) is 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline is CC(C)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline?
The InChIKey is OPEBLNCSOOICKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-6(2)15-9-4-7(10(12,13)14)3-8(11)5-9/h3-6,15H,1-2H3.
What are the key properties of 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline?
3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline has a molecular weight of 282.10 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 65491386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).