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

C17H28N2O — CID 62554132

IUPACN'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCOc1ccc(N(C)CCNC2CCC(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14-4-6-15(7-5-14)18-12-13-19(2)16-8-10-17(20-3)11-9-16/h8-11,14-15,18H,4-7,12-13H2,1-3H3
InChIKeyWMCFBEVPPDBBIV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.30
Rot. Bonds6

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

N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 62554132) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID62554132
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCOc1ccc(N(C)CCNC2CCC(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14-4-6-15(7-5-14)18-12-13-19(2)16-8-10-17(20-3)11-9-16/h8-11,14-15,18H,4-7,12-13H2,1-3H3
InChIKeyWMCFBEVPPDBBIV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62555730
N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
CID 115206831
N-[2-(4-methoxyphenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 62583747
N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 115206849
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435033
N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
CID 56919929
N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 115206869

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (CID 62554132) is N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is COc1ccc(N(C)CCNC2CCC(C)CC2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is WMCFBEVPPDBBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-4-6-15(7-5-14)18-12-13-19(2)16-8-10-17(20-3)11-9-16/h8-11,14-15,18H,4-7,12-13H2,1-3H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
N'-(4-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'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 62554132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).