4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline

C15H22BrN — CID 107571840

IUPAC4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
SMILESCc1cc(NC2CCCCC2C)cc(C)c1Br
InChIInChI=1S/C15H22BrN/c1-10-6-4-5-7-14(10)17-13-8-11(2)15(16)12(3)9-13/h8-10,14,17H,4-7H2,1-3H3
InChIKeyANVJTSNAVKIXNR-UHFFFAOYSA-N
MW296.25 g/mol
LogP5.06
Rot. Bonds2

About 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline

4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline (PubChem CID 107571840) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
PubChem CID107571840
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
SMILESCc1cc(NC2CCCCC2C)cc(C)c1Br
InChIInChI=1S/C15H22BrN/c1-10-6-4-5-7-14(10)17-13-8-11(2)15(16)12(3)9-13/h8-10,14,17H,4-7H2,1-3H3
InChIKeyANVJTSNAVKIXNR-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.25
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline
CID 107571902
4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572276
3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923141
4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 107571712
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline
CID 107571985
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
CID 43206245
4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 63278049
3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 130171740
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline (CID 107571840) is 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline is Cc1cc(NC2CCCCC2C)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline?
The InChIKey is ANVJTSNAVKIXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-10-6-4-5-7-14(10)17-13-8-11(2)15(16)12(3)9-13/h8-10,14,17H,4-7H2,1-3H3.
What are the key properties of 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline?
4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline has a molecular weight of 296.25 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 107571840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).