3-methoxyaniline

C7H9NO — CID 10824

IUPAC3-methoxyaniline
SMILESCOc1cccc(N)c1
InChIInChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
InChIKeyNCBZRJODKRCREW-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.28
Rot. Bonds1

About 3-methoxyaniline

3-methoxyaniline (PubChem CID 10824) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-methoxyaniline.

Molecular Properties

Compound Name3-methoxyaniline
PubChem CID10824
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-methoxyaniline
SMILESCOc1cccc(N)c1
InChIInChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
InChIKeyNCBZRJODKRCREW-UHFFFAOYSA-N
XLogP1.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxyaniline with MolForge

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

Launch Full Analysis

Related Compounds

3-Aminophenol
CID 11568
P-Anisidine
CID 7732
4-Ethoxyaniline
CID 9076
2,5-Diaminoanisole
CID 21379
2-Methoxyaniline
CID 7000
2-Methoxy-4-nitroaniline
CID 7337
4-Hexyloxyaniline
CID 38360
4-Methoxy-2-nitroaniline
CID 66793
o-Phenetidine
CID 7203
3-Ethoxyaniline
CID 12120
4-Anisidine hydrochloride
CID 2734956
3,4-Dimethoxyaniline
CID 22770

Frequently Asked Questions

What is the IUPAC name of 3-methoxyaniline?
The IUPAC name of 3-methoxyaniline (CID 10824) is 3-methoxyaniline.
What is the SMILES notation for 3-methoxyaniline?
The canonical SMILES for 3-methoxyaniline is COc1cccc(N)c1.
What is the InChIKey of 3-methoxyaniline?
The InChIKey is NCBZRJODKRCREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3.
What are the key properties of 3-methoxyaniline?
3-methoxyaniline has a molecular weight of 123.15 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyaniline is sourced from PubChem (CID 10824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).