1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine

C16H24Cl2N2 — CID 63464689

IUPAC1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-11-6-3-4-9-14(11)20(2)15(10-19)16-12(17)7-5-8-13(16)18/h5,7-8,11,14-15H,3-4,6,9-10,19H2,1-2H3
InChIKeyJNVNJYOPSDQMPV-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.50
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine

1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 63464689) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID63464689
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-11-6-3-4-9-14(11)20(2)15(10-19)16-12(17)7-5-8-13(16)18/h5,7-8,11,14-15H,3-4,6,9-10,19H2,1-2H3
InChIKeyJNVNJYOPSDQMPV-UHFFFAOYSA-N
XLogP4.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66158019
N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55004874
N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 55005212
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 106528596
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002202
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107711831
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66142037
1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 104816340
3-[methyl-(2-methylcyclohexyl)amino]-3-phenylpropanethioamide
CID 62780450
1-(2-chloro-6-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 104816278

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (CID 63464689) is 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is CC1CCCCC1N(C)C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is JNVNJYOPSDQMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-11-6-3-4-9-14(11)20(2)15(10-19)16-12(17)7-5-8-13(16)18/h5,7-8,11,14-15H,3-4,6,9-10,19H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 315.29 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 63464689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).