2-bromo-N-cyclohexyl-4-methylsulfanylaniline

C13H18BrNS — CID 135226834

IUPAC2-bromo-N-cyclohexyl-4-methylsulfanylaniline
SMILESCSc1ccc(NC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrNS/c1-16-11-7-8-13(12(14)9-11)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyOTUNPAUWDNCCDH-UHFFFAOYSA-N
MW300.26 g/mol
LogP4.92
Rot. Bonds3

About 2-bromo-N-cyclohexyl-4-methylsulfanylaniline

2-bromo-N-cyclohexyl-4-methylsulfanylaniline (PubChem CID 135226834) has the molecular formula C13H18BrNS and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-4-methylsulfanylaniline.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-4-methylsulfanylaniline
PubChem CID135226834
Molecular FormulaC13H18BrNS
Molecular Weight300.26 g/mol
Exact Mass299.03
IUPAC Name2-bromo-N-cyclohexyl-4-methylsulfanylaniline
SMILESCSc1ccc(NC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrNS/c1-16-11-7-8-13(12(14)9-11)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyOTUNPAUWDNCCDH-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)cyclooctanamine
CID 28939094
2-(cyclohexylamino)-5-methylsulfanylbenzonitrile
CID 142534987
N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
CID 65080810
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
ethyl 3-bromo-4-(cyclooctylamino)benzoate
CID 43684308
N-(2-bromo-4-methylphenyl)azepan-4-amine
CID 103980363
4-[2-(cyclooctylamino)-5-methylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226805
4-[2-(cycloheptylamino)-5-methylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226830
ethyl 3-bromo-4-(cyclopentylamino)benzoate
CID 43684306
2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
CID 28939093
4-bromo-N-cyclopentyl-2-ethylaniline
CID 81292169
N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine
CID 43683065

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclohexyl-4-methylsulfanylaniline?
The IUPAC name of 2-bromo-N-cyclohexyl-4-methylsulfanylaniline (CID 135226834) is 2-bromo-N-cyclohexyl-4-methylsulfanylaniline.
What is the SMILES notation for 2-bromo-N-cyclohexyl-4-methylsulfanylaniline?
The canonical SMILES for 2-bromo-N-cyclohexyl-4-methylsulfanylaniline is CSc1ccc(NC2CCCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-cyclohexyl-4-methylsulfanylaniline?
The InChIKey is OTUNPAUWDNCCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNS/c1-16-11-7-8-13(12(14)9-11)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3.
What are the key properties of 2-bromo-N-cyclohexyl-4-methylsulfanylaniline?
2-bromo-N-cyclohexyl-4-methylsulfanylaniline has a molecular weight of 300.26 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-4-methylsulfanylaniline is sourced from PubChem (CID 135226834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).