4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine

C16H20N2O2 — CID 83001687

IUPAC4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine
SMILESCOc1cc(N)c(N(C)c2cccc(C)c2)cc1OC
InChIInChI=1S/C16H20N2O2/c1-11-6-5-7-12(8-11)18(2)14-10-16(20-4)15(19-3)9-13(14)17/h5-10H,17H2,1-4H3
InChIKeySTNQHYKHDGLWTP-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.36
Rot. Bonds4

About 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine

4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine (PubChem CID 83001687) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine
PubChem CID83001687
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine
SMILESCOc1cc(N)c(N(C)c2cccc(C)c2)cc1OC
InChIInChI=1S/C16H20N2O2/c1-11-6-5-7-12(8-11)18(2)14-10-16(20-4)15(19-3)9-13(14)17/h5-10H,17H2,1-4H3
InChIKeySTNQHYKHDGLWTP-UHFFFAOYSA-N
XLogP3.36
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68606067
2-chloro-4-N,5-dimethyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 113334304
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 80738542
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
CID 114016646
6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
CID 62001678
1-N-(3,5-dimethylphenyl)-1-N,4-dimethylbenzene-1,2-diamine
CID 62003537
2-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-diamine
CID 62002618
2-(N,3-dimethylanilino)-4-methoxybenzonitrile
CID 81299255
N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline
CID 163852785
6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 113316893

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine (CID 83001687) is 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine is COc1cc(N)c(N(C)c2cccc(C)c2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine?
The InChIKey is STNQHYKHDGLWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-6-5-7-12(8-11)18(2)14-10-16(20-4)15(19-3)9-13(14)17/h5-10H,17H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine?
4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N-methyl-2-N-(3-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 83001687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).