4-methoxy-5-methylbenzene-1,2-diamine

C8H12N2O — CID 22478091

IUPAC4-methoxy-5-methylbenzene-1,2-diamine
SMILESCOc1cc(N)c(N)cc1C
InChIInChI=1S/C8H12N2O/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,9-10H2,1-2H3
InChIKeyCVHJSFQVNCVUQP-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.17
Rot. Bonds1

About 4-methoxy-5-methylbenzene-1,2-diamine

4-methoxy-5-methylbenzene-1,2-diamine (PubChem CID 22478091) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methoxy-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-5-methylbenzene-1,2-diamine
PubChem CID22478091
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-methoxy-5-methylbenzene-1,2-diamine
SMILESCOc1cc(N)c(N)cc1C
InChIInChI=1S/C8H12N2O/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,9-10H2,1-2H3
InChIKeyCVHJSFQVNCVUQP-UHFFFAOYSA-N
XLogP1.17
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxy-5-methylbenzene-1,2-diamine?
The IUPAC name of 4-methoxy-5-methylbenzene-1,2-diamine (CID 22478091) is 4-methoxy-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-methoxy-5-methylbenzene-1,2-diamine?
The canonical SMILES for 4-methoxy-5-methylbenzene-1,2-diamine is COc1cc(N)c(N)cc1C.
What is the InChIKey of 4-methoxy-5-methylbenzene-1,2-diamine?
The InChIKey is CVHJSFQVNCVUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,9-10H2,1-2H3.
What are the key properties of 4-methoxy-5-methylbenzene-1,2-diamine?
4-methoxy-5-methylbenzene-1,2-diamine has a molecular weight of 152.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 22478091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).