3-methoxy-4-methylaniline

C8H11NO — CID 27882

IUPAC3-methoxy-4-methylaniline
SMILESCOc1cc(N)ccc1C
InChIInChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3
InChIKeyONADZNBSLRAJFW-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.59
Rot. Bonds1

About 3-methoxy-4-methylaniline

3-methoxy-4-methylaniline (PubChem CID 27882) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-methoxy-4-methylaniline.

Molecular Properties

Compound Name3-methoxy-4-methylaniline
PubChem CID27882
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-methoxy-4-methylaniline
SMILESCOc1cc(N)ccc1C
InChIInChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3
InChIKeyONADZNBSLRAJFW-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylaniline?
The IUPAC name of 3-methoxy-4-methylaniline (CID 27882) is 3-methoxy-4-methylaniline.
What is the SMILES notation for 3-methoxy-4-methylaniline?
The canonical SMILES for 3-methoxy-4-methylaniline is COc1cc(N)ccc1C.
What is the InChIKey of 3-methoxy-4-methylaniline?
The InChIKey is ONADZNBSLRAJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3.
What are the key properties of 3-methoxy-4-methylaniline?
3-methoxy-4-methylaniline has a molecular weight of 137.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylaniline is sourced from PubChem (CID 27882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).