2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine

C13H18Cl2N2 — CID 91681222

IUPAC2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine
SMILESCN(c1c(Cl)cc(N)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H18Cl2N2/c1-17(10-5-3-2-4-6-10)13-11(14)7-9(16)8-12(13)15/h7-8,10H,2-6,16H2,1H3
InChIKeyZVOBITACFGSUOA-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.34
Rot. Bonds2

About 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine

2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine (PubChem CID 91681222) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine
PubChem CID91681222
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine
SMILESCN(c1c(Cl)cc(N)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H18Cl2N2/c1-17(10-5-3-2-4-6-10)13-11(14)7-9(16)8-12(13)15/h7-8,10H,2-6,16H2,1H3
InChIKeyZVOBITACFGSUOA-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-3-chloro-2-[cyclohexyl(methyl)amino]benzoate
CID 107193117
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
CID 107193832
5-chloro-1-N-cycloheptyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552727
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
methyl 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzoate
CID 107194657
3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
CID 43613770
2,6-dichloro-N-cyclopropyl-N-methylaniline
CID 54252168
2-chloro-N-cyclohexyl-6-ethyl-N-methyl-4-nitroaniline
CID 91681162
5-chloro-4-N-cycloheptyl-4-N-methylpyrimidine-2,4-diamine
CID 80789751
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
N-[4-(chloromethyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63540066

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine (CID 91681222) is 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine is CN(c1c(Cl)cc(N)cc1Cl)C1CCCCC1.
What is the InChIKey of 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine?
The InChIKey is ZVOBITACFGSUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-17(10-5-3-2-4-6-10)13-11(14)7-9(16)8-12(13)15/h7-8,10H,2-6,16H2,1H3.
What are the key properties of 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine?
2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine has a molecular weight of 273.21 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 91681222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).