4-bromo-N-propyl-2-(trifluoromethyl)aniline

C10H11BrF3N — CID 60792864

IUPAC4-bromo-N-propyl-2-(trifluoromethyl)aniline
SMILESCCCNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-2-5-15-9-4-3-7(11)6-8(9)10(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyLUEUIICVXCCOLT-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.29
Rot. Bonds3

About 4-bromo-N-propyl-2-(trifluoromethyl)aniline

4-bromo-N-propyl-2-(trifluoromethyl)aniline (PubChem CID 60792864) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-bromo-N-propyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-propyl-2-(trifluoromethyl)aniline
PubChem CID60792864
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name4-bromo-N-propyl-2-(trifluoromethyl)aniline
SMILESCCCNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-2-5-15-9-4-3-7(11)6-8(9)10(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyLUEUIICVXCCOLT-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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Related Compounds

5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
N'-[4-bromo-2-(trifluoromethyl)phenyl]-N-ethylpropane-1,3-diamine
CID 65483236
N-[4-bromo-2-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 54918575
4-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(trifluoromethyl)aniline
CID 112588802
4-bromo-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559
4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
CID 59557088
4-bromo-N-(2-tert-butylsulfonylethyl)-2-(trifluoromethyl)aniline
CID 106723263
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 60886097
4-bromo-N-[(4-ethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 60791438
ethyl 3-[4-bromo-2-(trifluoromethyl)anilino]propanoate
CID 60792217
5-bromo-N-butyl-2-(trifluoromethyl)aniline
CID 107285846
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propyl-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-propyl-2-(trifluoromethyl)aniline (CID 60792864) is 4-bromo-N-propyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-propyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-propyl-2-(trifluoromethyl)aniline is CCCNc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-propyl-2-(trifluoromethyl)aniline?
The InChIKey is LUEUIICVXCCOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-2-5-15-9-4-3-7(11)6-8(9)10(12,13)14/h3-4,6,15H,2,5H2,1H3.
What are the key properties of 4-bromo-N-propyl-2-(trifluoromethyl)aniline?
4-bromo-N-propyl-2-(trifluoromethyl)aniline has a molecular weight of 282.10 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 60792864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).