4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine

C16H25BrN2 — CID 79835668

IUPAC4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NC1CCCCC1(C)C
InChIInChI=1S/C16H25BrN2/c1-16(2)10-6-5-7-15(16)18-13-11-12(17)8-9-14(13)19(3)4/h8-9,11,15,18H,5-7,10H2,1-4H3
InChIKeyOSNKPVFBUITILI-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.90
Rot. Bonds3

About 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 79835668) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID79835668
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NC1CCCCC1(C)C
InChIInChI=1S/C16H25BrN2/c1-16(2)10-6-5-7-15(16)18-13-11-12(17)8-9-14(13)19(3)4/h8-9,11,15,18H,5-7,10H2,1-4H3
InChIKeyOSNKPVFBUITILI-UHFFFAOYSA-N
XLogP4.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746246
4-bromo-N-(2,2-dimethylcyclopentyl)-2-ethylaniline
CID 81292278
4-bromo-2-[(2,2-dimethylcyclopentyl)amino]benzonitrile
CID 114902013
4-bromo-1-N,1-N-dimethyl-2-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diamine
CID 115400614
4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 64594291
5-bromo-N-(2,2-dimethylcyclohexyl)-2,4-difluoroaniline
CID 102853156
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 114076581
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297673
4-bromo-2-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 82853727
2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
CID 79864735

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine (CID 79835668) is 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Br)cc1NC1CCCCC1(C)C.
What is the InChIKey of 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is OSNKPVFBUITILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-16(2)10-6-5-7-15(16)18-13-11-12(17)8-9-14(13)19(3)4/h8-9,11,15,18H,5-7,10H2,1-4H3.
What are the key properties of 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 325.29 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 79835668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).