1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine

C15H18N2O2 — CID 62911783

IUPAC1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Nc2ccc(C)c(N)c2)cc1OC
InChIInChI=1S/C15H18N2O2/c1-10-4-5-11(8-13(10)16)17-12-6-7-14(18-2)15(9-12)19-3/h4-9,17H,16H2,1-3H3
InChIKeyKPTZSNIKFOSFEO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.34
Rot. Bonds4

About 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine

1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine (PubChem CID 62911783) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
PubChem CID62911783
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Nc2ccc(C)c(N)c2)cc1OC
InChIInChI=1S/C15H18N2O2/c1-10-4-5-11(8-13(10)16)17-12-6-7-14(18-2)15(9-12)19-3/h4-9,17H,16H2,1-3H3
InChIKeyKPTZSNIKFOSFEO-UHFFFAOYSA-N
XLogP3.34
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059167
4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059164
3-N-(3,4-dimethoxyphenyl)-5-fluorobenzene-1,3-diamine
CID 60876893
1-N-methoxy-4-methylbenzene-1,3-diamine
CID 87287100
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine (CID 62911783) is 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine is COc1ccc(Nc2ccc(C)c(N)c2)cc1OC.
What is the InChIKey of 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine?
The InChIKey is KPTZSNIKFOSFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-5-11(8-13(10)16)17-12-6-7-14(18-2)15(9-12)19-3/h4-9,17H,16H2,1-3H3.
What are the key properties of 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine?
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 62911783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).