N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

C17H28N2O — CID 62555730

IUPACN'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCOc1ccccc1N(C)CCNC1CCC(C)CC1
InChIInChI=1S/C17H28N2O/c1-14-8-10-15(11-9-14)18-12-13-19(2)16-6-4-5-7-17(16)20-3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyLLCMTUNWXYLYRD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.30
Rot. Bonds6

About N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 62555730) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID62555730
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCOc1ccccc1N(C)CCNC1CCC(C)CC1
InChIInChI=1S/C17H28N2O/c1-14-8-10-15(11-9-14)18-12-13-19(2)16-6-4-5-7-17(16)20-3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyLLCMTUNWXYLYRD-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562030
N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62554132
2-methoxy-N-methyl-N-propylaniline
CID 23198488
N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 115206845
N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922
N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260608
N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 62587825
N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 55093327
N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62553756
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428787
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline
CID 62429145
N-cyclopropyl-N'-methyl-N'-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 115206920

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (CID 62555730) is N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is COc1ccccc1N(C)CCNC1CCC(C)CC1.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is LLCMTUNWXYLYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-8-10-15(11-9-14)18-12-13-19(2)16-6-4-5-7-17(16)20-3/h4-7,14-15,18H,8-13H2,1-3H3.
What are the key properties of N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 62555730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).