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

C8H12N2O — CID 4518444

IUPAC4-methoxy-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccc(OC)cc1N
InChIInChI=1S/C8H12N2O/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,9H2,1-2H3
InChIKeyLJGJDFAHHABYEF-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.32
Rot. Bonds2

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

4-methoxy-1-N-methylbenzene-1,2-diamine (PubChem CID 4518444) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methoxy-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-methylbenzene-1,2-diamine
PubChem CID4518444
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-methoxy-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccc(OC)cc1N
InChIInChI=1S/C8H12N2O/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,9H2,1-2H3
InChIKeyLJGJDFAHHABYEF-UHFFFAOYSA-N
XLogP1.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-methylbenzene-1,2-diamine (CID 4518444) is 4-methoxy-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-methylbenzene-1,2-diamine is CNc1ccc(OC)cc1N.
What is the InChIKey of 4-methoxy-1-N-methylbenzene-1,2-diamine?
The InChIKey is LJGJDFAHHABYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,9H2,1-2H3.
What are the key properties of 4-methoxy-1-N-methylbenzene-1,2-diamine?
4-methoxy-1-N-methylbenzene-1,2-diamine has a molecular weight of 152.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 4518444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).