3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine

C15H18N2O — CID 55091364

IUPAC3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Nc2cc(N)ccc2C)cc1C
InChIInChI=1S/C15H18N2O/c1-10-4-5-12(16)9-14(10)17-13-6-7-15(18-3)11(2)8-13/h4-9,17H,16H2,1-3H3
InChIKeyIKSNHBNTAGHTQH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.64
Rot. Bonds3

About 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine

3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine (PubChem CID 55091364) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
PubChem CID55091364
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Nc2cc(N)ccc2C)cc1C
InChIInChI=1S/C15H18N2O/c1-10-4-5-12(16)9-14(10)17-13-6-7-15(18-3)11(2)8-13/h4-9,17H,16H2,1-3H3
InChIKeyIKSNHBNTAGHTQH-UHFFFAOYSA-N
XLogP3.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(3-chloro-4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55091841
2-fluoro-5-methoxy-1-N-(4-methoxy-3-methylphenyl)benzene-1,4-diamine
CID 107258978
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 62588854
2-N-(4-methoxy-3-methylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79890647
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
4-bromo-5-fluoro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 116735679
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
4-(5-amino-2-methylanilino)benzonitrile
CID 62588662
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine
CID 62589407

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine (CID 55091364) is 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine is COc1ccc(Nc2cc(N)ccc2C)cc1C.
What is the InChIKey of 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine?
The InChIKey is IKSNHBNTAGHTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-5-12(16)9-14(10)17-13-6-7-15(18-3)11(2)8-13/h4-9,17H,16H2,1-3H3.
What are the key properties of 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine?
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 55091364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).