4-methoxy-N-methylaniline

C8H11NO — CID 22250

IUPAC4-methoxy-N-methylaniline
SMILESCNc1ccc(OC)cc1
InChIInChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3
InChIKeyJFXDIXYFXDOZIT-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.74
Rot. Bonds2

About 4-methoxy-N-methylaniline

4-methoxy-N-methylaniline (PubChem CID 22250) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-methoxy-N-methylaniline.

Molecular Properties

Compound Name4-methoxy-N-methylaniline
PubChem CID22250
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-methoxy-N-methylaniline
SMILESCNc1ccc(OC)cc1
InChIInChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3
InChIKeyJFXDIXYFXDOZIT-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-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 4-methoxy-N-methylaniline?
The IUPAC name of 4-methoxy-N-methylaniline (CID 22250) is 4-methoxy-N-methylaniline.
What is the SMILES notation for 4-methoxy-N-methylaniline?
The canonical SMILES for 4-methoxy-N-methylaniline is CNc1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-methylaniline?
The InChIKey is JFXDIXYFXDOZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3.
What are the key properties of 4-methoxy-N-methylaniline?
4-methoxy-N-methylaniline has a molecular weight of 137.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylaniline is sourced from PubChem (CID 22250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).