N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine

C16H25ClN2 — CID 63503941

IUPACN-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)CCNc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-13-6-3-4-9-16(13)19(2)11-10-18-15-8-5-7-14(17)12-15/h5,7-8,12-13,16,18H,3-4,6,9-11H2,1-2H3
InChIKeyLUMXIUIHANVHFU-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.26
Rot. Bonds5

About N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine

N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 63503941) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID63503941
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)CCNc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-13-6-3-4-9-16(13)19(2)11-10-18-15-8-5-7-14(17)12-15/h5,7-8,12-13,16,18H,3-4,6,9-11H2,1-2H3
InChIKeyLUMXIUIHANVHFU-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine (CID 63503941) is N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine is CC1CCCCC1N(C)CCNc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is LUMXIUIHANVHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13-6-3-4-9-16(13)19(2)11-10-18-15-8-5-7-14(17)12-15/h5,7-8,12-13,16,18H,3-4,6,9-11H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 63503941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).