6-methoxy-3,4-dimethylbenzene-1,2-diamine

C9H14N2O — CID 151295831

IUPAC6-methoxy-3,4-dimethylbenzene-1,2-diamine
SMILESCOc1cc(C)c(C)c(N)c1N
InChIInChI=1S/C9H14N2O/c1-5-4-7(12-3)9(11)8(10)6(5)2/h4H,10-11H2,1-3H3
InChIKeyOBJQURYERAJGCP-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.48
Rot. Bonds1

About 6-methoxy-3,4-dimethylbenzene-1,2-diamine

6-methoxy-3,4-dimethylbenzene-1,2-diamine (PubChem CID 151295831) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methoxy-3,4-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name6-methoxy-3,4-dimethylbenzene-1,2-diamine
PubChem CID151295831
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-methoxy-3,4-dimethylbenzene-1,2-diamine
SMILESCOc1cc(C)c(C)c(N)c1N
InChIInChI=1S/C9H14N2O/c1-5-4-7(12-3)9(11)8(10)6(5)2/h4H,10-11H2,1-3H3
InChIKeyOBJQURYERAJGCP-UHFFFAOYSA-N
XLogP1.48
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.48
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

4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine
CID 135124005
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110
2,3,5,6-tetramethylaniline
CID 3456097
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039
4-ethyl-2-methoxy-6-methylaniline
CID 131487767
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
4,5-dimethoxy-2-methylbenzenethiol
CID 43626828
2-methoxy-6-methyl-4-nitrosoaniline
CID 89377766
6-bromo-3-methoxy-2-methylaniline
CID 67280395

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dimethylbenzene-1,2-diamine?
The IUPAC name of 6-methoxy-3,4-dimethylbenzene-1,2-diamine (CID 151295831) is 6-methoxy-3,4-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 6-methoxy-3,4-dimethylbenzene-1,2-diamine?
The canonical SMILES for 6-methoxy-3,4-dimethylbenzene-1,2-diamine is COc1cc(C)c(C)c(N)c1N.
What is the InChIKey of 6-methoxy-3,4-dimethylbenzene-1,2-diamine?
The InChIKey is OBJQURYERAJGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-4-7(12-3)9(11)8(10)6(5)2/h4H,10-11H2,1-3H3.
What are the key properties of 6-methoxy-3,4-dimethylbenzene-1,2-diamine?
6-methoxy-3,4-dimethylbenzene-1,2-diamine has a molecular weight of 166.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 151295831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).