4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine

C15H24N2O — CID 117027472

IUPAC4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
SMILESCCOc1ccc(NC2CCC(NC)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-3-18-15-10-8-14(9-11-15)17-13-6-4-12(16-2)5-7-13/h8-13,16-17H,3-7H2,1-2H3
InChIKeyZDFURNAVXYWKAU-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.03
Rot. Bonds5

About 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine

4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine (PubChem CID 117027472) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
PubChem CID117027472
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
SMILESCCOc1ccc(NC2CCC(NC)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-3-18-15-10-8-14(9-11-15)17-13-6-4-12(16-2)5-7-13/h8-13,16-17H,3-7H2,1-2H3
InChIKeyZDFURNAVXYWKAU-UHFFFAOYSA-N
XLogP3.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
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-(4-ethoxyphenyl)thian-4-amine
CID 43394937
N-(4-ethoxyphenyl)oxepan-4-amine
CID 65076928
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937243
2-(4-ethoxyanilino)cyclohexan-1-ol
CID 60883757
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(4-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121545

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine (CID 117027472) is 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine is CCOc1ccc(NC2CCC(NC)CC2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is ZDFURNAVXYWKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-15-10-8-14(9-11-15)17-13-6-4-12(16-2)5-7-13/h8-13,16-17H,3-7H2,1-2H3.
What are the key properties of 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine?
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 117027472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).