3-(3-methylanilino)phenol

C13H13NO — CID 3020312

IUPAC3-(3-methylanilino)phenol
SMILESCc1cccc(Nc2cccc(O)c2)c1
InChIInChI=1S/C13H13NO/c1-10-4-2-5-11(8-10)14-12-6-3-7-13(15)9-12/h2-9,14-15H,1H3
InChIKeyNNOAVNCSVAGCLY-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.44
Rot. Bonds2

About 3-(3-methylanilino)phenol

3-(3-methylanilino)phenol (PubChem CID 3020312) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(3-methylanilino)phenol.

Molecular Properties

Compound Name3-(3-methylanilino)phenol
PubChem CID3020312
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-(3-methylanilino)phenol
SMILESCc1cccc(Nc2cccc(O)c2)c1
InChIInChI=1S/C13H13NO/c1-10-4-2-5-11(8-10)14-12-6-3-7-13(15)9-12/h2-9,14-15H,1H3
InChIKeyNNOAVNCSVAGCLY-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-methylanilino)phenol 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-(3-methylanilino)phenol?
The IUPAC name of 3-(3-methylanilino)phenol (CID 3020312) is 3-(3-methylanilino)phenol.
What is the SMILES notation for 3-(3-methylanilino)phenol?
The canonical SMILES for 3-(3-methylanilino)phenol is Cc1cccc(Nc2cccc(O)c2)c1.
What is the InChIKey of 3-(3-methylanilino)phenol?
The InChIKey is NNOAVNCSVAGCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-4-2-5-11(8-10)14-12-6-3-7-13(15)9-12/h2-9,14-15H,1H3.
What are the key properties of 3-(3-methylanilino)phenol?
3-(3-methylanilino)phenol has a molecular weight of 199.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylanilino)phenol is sourced from PubChem (CID 3020312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).