4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline

C13H17BrClN — CID 107619202

IUPAC4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClN/c1-9-4-2-3-5-13(9)16-10-6-7-11(14)12(15)8-10/h6-9,13,16H,2-5H2,1H3
InChIKeyWIQLGYQKJCRWPV-UHFFFAOYSA-N
MW302.64 g/mol
LogP5.09
Rot. Bonds2

About 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline

4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline (PubChem CID 107619202) has the molecular formula C13H17BrClN and a molecular weight of 302.64 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
PubChem CID107619202
Molecular FormulaC13H17BrClN
Molecular Weight302.64 g/mol
Exact Mass301.02
IUPAC Name4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClN/c1-9-4-2-3-5-13(9)16-10-6-7-11(14)12(15)8-10/h6-9,13,16H,2-5H2,1H3
InChIKeyWIQLGYQKJCRWPV-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
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4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
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4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
CID 107571840
3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline (CID 107619202) is 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline is CC1CCCCC1Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline?
The InChIKey is WIQLGYQKJCRWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN/c1-9-4-2-3-5-13(9)16-10-6-7-11(14)12(15)8-10/h6-9,13,16H,2-5H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline?
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline has a molecular weight of 302.64 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 107619202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).