2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline

C14H16Br2F3NO — CID 103412212

IUPAC2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCOc1cc(NC2CCCCC2C(F)(F)F)c(Br)cc1Br
InChIInChI=1S/C14H16Br2F3NO/c1-21-13-7-12(9(15)6-10(13)16)20-11-5-3-2-4-8(11)14(17,18)19/h6-8,11,20H,2-5H2,1H3
InChIKeyQHZUXFFIPOLDIV-UHFFFAOYSA-N
MW431.09 g/mol
LogP5.75
Rot. Bonds3

About 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline

2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 103412212) has the molecular formula C14H16Br2F3NO and a molecular weight of 431.09 g/mol. Its IUPAC name is 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID103412212
Molecular FormulaC14H16Br2F3NO
Molecular Weight431.09 g/mol
Exact Mass428.96
IUPAC Name2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCOc1cc(NC2CCCCC2C(F)(F)F)c(Br)cc1Br
InChIInChI=1S/C14H16Br2F3NO/c1-21-13-7-12(9(15)6-10(13)16)20-11-5-3-2-4-8(11)14(17,18)19/h6-8,11,20H,2-5H2,1H3
InChIKeyQHZUXFFIPOLDIV-UHFFFAOYSA-N
XLogP5.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.09
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol
CID 103412767
5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758489
4-bromo-3-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 82857596
5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102853225
4-(2,4-dibromo-5-methoxyanilino)-1,1-dioxothiolan-3-ol
CID 103413334
2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
CID 103412121
N-(2,4-dibromo-5-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 103411345
4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572276
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
3-bromo-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 104775706
3-(2,4-dibromo-5-methoxyanilino)-1-methylpyrrolidin-2-one
CID 103412782
N-(2,4-dibromo-5-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 103411779

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 103412212) is 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline is COc1cc(NC2CCCCC2C(F)(F)F)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is QHZUXFFIPOLDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2F3NO/c1-21-13-7-12(9(15)6-10(13)16)20-11-5-3-2-4-8(11)14(17,18)19/h6-8,11,20H,2-5H2,1H3.
What are the key properties of 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 431.09 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 103412212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).