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

C12H13BrF3N — CID 113325985

IUPAC2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCC2CC2)c(Br)c1
InChIInChI=1S/C12H13BrF3N/c13-10-7-9(12(14,15)16)3-4-11(10)17-6-5-8-1-2-8/h3-4,7-8,17H,1-2,5-6H2
InChIKeyANWGDOQFVBWTDO-UHFFFAOYSA-N
MW308.14 g/mol
LogP4.68
Rot. Bonds4

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

2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline (PubChem CID 113325985) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
PubChem CID113325985
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCC2CC2)c(Br)c1
InChIInChI=1S/C12H13BrF3N/c13-10-7-9(12(14,15)16)3-4-11(10)17-6-5-8-1-2-8/h3-4,7-8,17H,1-2,5-6H2
InChIKeyANWGDOQFVBWTDO-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline
CID 115511700
2-bromo-N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)aniline
CID 115511701
2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline
CID 115511910
2-bromo-4-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 115520630
2-bromo-N-(3-methylbutyl)-4-(trifluoromethyl)aniline
CID 115511441
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 115511456
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-(trifluoromethyl)aniline
CID 106125456
2-bromo-N-[2-(2-chloroethoxy)ethyl]-4-(trifluoromethyl)aniline
CID 115512285
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 115511431
2-bromo-N-hex-5-ynyl-4-(trifluoromethyl)aniline
CID 106214514
2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline
CID 115511646
2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline
CID 115511442

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline (CID 113325985) is 2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCCC2CC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline?
The InChIKey is ANWGDOQFVBWTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-10-7-9(12(14,15)16)3-4-11(10)17-6-5-8-1-2-8/h3-4,7-8,17H,1-2,5-6H2.
What are the key properties of 2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline?
2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline has a molecular weight of 308.14 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 113325985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).