1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine

C18H30N2O — CID 62133166

IUPAC1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)C2CCCC(C)C2)cc1C
InChIInChI=1S/C18H30N2O/c1-13-6-5-7-16(10-13)20(3)17(12-19)15-8-9-18(21-4)14(2)11-15/h8-9,11,13,16-17H,5-7,10,12,19H2,1-4H3
InChIKeyGTGMYBIJIQZHDV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.51
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine

1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 62133166) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
PubChem CID62133166
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)C2CCCC(C)C2)cc1C
InChIInChI=1S/C18H30N2O/c1-13-6-5-7-16(10-13)20(3)17(12-19)15-8-9-18(21-4)14(2)11-15/h8-9,11,13,16-17H,5-7,10,12,19H2,1-4H3
InChIKeyGTGMYBIJIQZHDV-UHFFFAOYSA-N
XLogP3.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine (CID 62133166) is 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine is COc1ccc(C(CN)N(C)C2CCCC(C)C2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is GTGMYBIJIQZHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13-6-5-7-16(10-13)20(3)17(12-19)15-8-9-18(21-4)14(2)11-15/h8-9,11,13,16-17H,5-7,10,12,19H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 62133166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).