2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline

C15H12BrF4N — CID 115511442

IUPAC2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline
SMILESFc1ccccc1CCNc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C15H12BrF4N/c16-12-9-11(15(18,19)20)5-6-14(12)21-8-7-10-3-1-2-4-13(10)17/h1-6,9,21H,7-8H2
InChIKeyOHLCFHLDCVSZRO-UHFFFAOYSA-N
MW362.16 g/mol
LogP5.26
Rot. Bonds4

About 2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline

2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 115511442) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID115511442
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline
SMILESFc1ccccc1CCNc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C15H12BrF4N/c16-12-9-11(15(18,19)20)5-6-14(12)21-8-7-10-3-1-2-4-13(10)17/h1-6,9,21H,7-8H2
InChIKeyOHLCFHLDCVSZRO-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.16
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 107285856
2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
CID 113325985
2-bromo-4-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 115520630
2-bromo-N-(3-methylbutyl)-4-(trifluoromethyl)aniline
CID 115511441
2-bromo-N-[(2,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511648
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 115511456
2-bromo-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511612
2-bromo-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 115511799
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline (CID 115511442) is 2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline is Fc1ccccc1CCNc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is OHLCFHLDCVSZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c16-12-9-11(15(18,19)20)5-6-14(12)21-8-7-10-3-1-2-4-13(10)17/h1-6,9,21H,7-8H2.
What are the key properties of 2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline?
2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 362.16 g/mol, XLogP of 5.26, 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-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115511442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).