4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine

C14H21BrN2 — CID 43746246

IUPAC4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NC1CCCCC1
InChIInChI=1S/C14H21BrN2/c1-17(2)14-9-8-11(15)10-13(14)16-12-6-4-3-5-7-12/h8-10,12,16H,3-7H2,1-2H3
InChIKeyLJJGEHPNXPCSDR-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.26
Rot. Bonds3

About 4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43746246) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43746246
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NC1CCCCC1
InChIInChI=1S/C14H21BrN2/c1-17(2)14-9-8-11(15)10-13(14)16-12-6-4-3-5-7-12/h8-10,12,16H,3-7H2,1-2H3
InChIKeyLJJGEHPNXPCSDR-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 64594291
4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741067
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 79835668
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
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CID 63477399
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
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
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CID 81292169
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
4-bromo-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 43746242
4-bromo-2-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 81251956

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43746246) is 4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Br)cc1NC1CCCCC1.
What is the InChIKey of 4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is LJJGEHPNXPCSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-17(2)14-9-8-11(15)10-13(14)16-12-6-4-3-5-7-12/h8-10,12,16H,3-7H2,1-2H3.
What are the key properties of 4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 297.24 g/mol, XLogP of 4.26, 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-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43746246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).