4,5-dimethoxy-3-methylbenzene-1,2-diamine

C9H14N2O2 — CID 13006980

IUPAC4,5-dimethoxy-3-methylbenzene-1,2-diamine
SMILESCOc1cc(N)c(N)c(C)c1OC
InChIInChI=1S/C9H14N2O2/c1-5-8(11)6(10)4-7(12-2)9(5)13-3/h4H,10-11H2,1-3H3
InChIKeySYBHFRANGFCNMU-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.18
Rot. Bonds2

About 4,5-dimethoxy-3-methylbenzene-1,2-diamine

4,5-dimethoxy-3-methylbenzene-1,2-diamine (PubChem CID 13006980) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4,5-dimethoxy-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-3-methylbenzene-1,2-diamine
PubChem CID13006980
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4,5-dimethoxy-3-methylbenzene-1,2-diamine
SMILESCOc1cc(N)c(N)c(C)c1OC
InChIInChI=1S/C9H14N2O2/c1-5-8(11)6(10)4-7(12-2)9(5)13-3/h4H,10-11H2,1-3H3
InChIKeySYBHFRANGFCNMU-UHFFFAOYSA-N
XLogP1.18
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-3-methylbenzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-3-methylbenzene-1,2-diamine (CID 13006980) is 4,5-dimethoxy-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-3-methylbenzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-3-methylbenzene-1,2-diamine is COc1cc(N)c(N)c(C)c1OC.
What is the InChIKey of 4,5-dimethoxy-3-methylbenzene-1,2-diamine?
The InChIKey is SYBHFRANGFCNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-8(11)6(10)4-7(12-2)9(5)13-3/h4H,10-11H2,1-3H3.
What are the key properties of 4,5-dimethoxy-3-methylbenzene-1,2-diamine?
4,5-dimethoxy-3-methylbenzene-1,2-diamine has a molecular weight of 182.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 13006980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).