5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine

C15H18N2O — CID 80738542

IUPAC5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(N(C)c2cccc(C)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-4-6-13(7-11)17(2)14-8-12(16)9-15(10-14)18-3/h4-10H,16H2,1-3H3
InChIKeyCQQIEXSSGVWQJT-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.35
Rot. Bonds3

About 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine

5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine (PubChem CID 80738542) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
PubChem CID80738542
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(N(C)c2cccc(C)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-4-6-13(7-11)17(2)14-8-12(16)9-15(10-14)18-3/h4-10H,16H2,1-3H3
InChIKeyCQQIEXSSGVWQJT-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine (CID 80738542) is 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine is COc1cc(N)cc(N(C)c2cccc(C)c2)c1.
What is the InChIKey of 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
The InChIKey is CQQIEXSSGVWQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-4-6-13(7-11)17(2)14-8-12(16)9-15(10-14)18-3/h4-10H,16H2,1-3H3.
What are the key properties of 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine?
5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 80738542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).