3-[2-(methylaminomethyl)phenyl]sulfanylphenol

C14H15NOS — CID 826537

IUPAC3-[2-(methylaminomethyl)phenyl]sulfanylphenol
SMILESCNCc1ccccc1Sc1cccc(O)c1
InChIInChI=1S/C14H15NOS/c1-15-10-11-5-2-3-8-14(11)17-13-7-4-6-12(16)9-13/h2-9,15-16H,10H2,1H3
InChIKeyMVUYJOIQCXKOSI-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.26
Rot. Bonds4

About 3-[2-(methylaminomethyl)phenyl]sulfanylphenol

3-[2-(methylaminomethyl)phenyl]sulfanylphenol (PubChem CID 826537) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[2-(methylaminomethyl)phenyl]sulfanylphenol.

Molecular Properties

Compound Name3-[2-(methylaminomethyl)phenyl]sulfanylphenol
PubChem CID826537
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name3-[2-(methylaminomethyl)phenyl]sulfanylphenol
SMILESCNCc1ccccc1Sc1cccc(O)c1
InChIInChI=1S/C14H15NOS/c1-15-10-11-5-2-3-8-14(11)17-13-7-4-6-12(16)9-13/h2-9,15-16H,10H2,1H3
InChIKeyMVUYJOIQCXKOSI-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(methylaminomethyl)phenyl]sulfanylphenol 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-[2-(methylaminomethyl)phenyl]sulfanylphenol?
The IUPAC name of 3-[2-(methylaminomethyl)phenyl]sulfanylphenol (CID 826537) is 3-[2-(methylaminomethyl)phenyl]sulfanylphenol.
What is the SMILES notation for 3-[2-(methylaminomethyl)phenyl]sulfanylphenol?
The canonical SMILES for 3-[2-(methylaminomethyl)phenyl]sulfanylphenol is CNCc1ccccc1Sc1cccc(O)c1.
What is the InChIKey of 3-[2-(methylaminomethyl)phenyl]sulfanylphenol?
The InChIKey is MVUYJOIQCXKOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-15-10-11-5-2-3-8-14(11)17-13-7-4-6-12(16)9-13/h2-9,15-16H,10H2,1H3.
What are the key properties of 3-[2-(methylaminomethyl)phenyl]sulfanylphenol?
3-[2-(methylaminomethyl)phenyl]sulfanylphenol has a molecular weight of 245.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylaminomethyl)phenyl]sulfanylphenol is sourced from PubChem (CID 826537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).