1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine

C17H22N2O — CID 65384942

IUPAC1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H22N2O/c1-12-4-5-13(2)16(10-12)17(11-18)19-14-6-8-15(20-3)9-7-14/h4-10,17,19H,11,18H2,1-3H3
InChIKeyZEPATMOMYNIUQI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine

1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65384942) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID65384942
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H22N2O/c1-12-4-5-13(2)16(10-12)17(11-18)19-14-6-8-15(20-3)9-7-14/h4-10,17,19H,11,18H2,1-3H3
InChIKeyZEPATMOMYNIUQI-UHFFFAOYSA-N
XLogP3.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine (CID 65384942) is 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(NC(CN)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is ZEPATMOMYNIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-4-5-13(2)16(10-12)17(11-18)19-14-6-8-15(20-3)9-7-14/h4-10,17,19H,11,18H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).