4-[2-(aminomethyl)phenyl]sulfanylphenol

C13H13NOS — CID 826502

IUPAC4-[2-(aminomethyl)phenyl]sulfanylphenol
SMILESNCc1ccccc1Sc1ccc(O)cc1
InChIInChI=1S/C13H13NOS/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12/h1-8,15H,9,14H2
InChIKeyBBKORXIIJMKPQR-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.00
Rot. Bonds3

About 4-[2-(aminomethyl)phenyl]sulfanylphenol

4-[2-(aminomethyl)phenyl]sulfanylphenol (PubChem CID 826502) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenyl]sulfanylphenol.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenyl]sulfanylphenol
PubChem CID826502
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name4-[2-(aminomethyl)phenyl]sulfanylphenol
SMILESNCc1ccccc1Sc1ccc(O)cc1
InChIInChI=1S/C13H13NOS/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12/h1-8,15H,9,14H2
InChIKeyBBKORXIIJMKPQR-UHFFFAOYSA-N
XLogP3.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenyl]sulfanylphenol?
The IUPAC name of 4-[2-(aminomethyl)phenyl]sulfanylphenol (CID 826502) is 4-[2-(aminomethyl)phenyl]sulfanylphenol.
What is the SMILES notation for 4-[2-(aminomethyl)phenyl]sulfanylphenol?
The canonical SMILES for 4-[2-(aminomethyl)phenyl]sulfanylphenol is NCc1ccccc1Sc1ccc(O)cc1.
What is the InChIKey of 4-[2-(aminomethyl)phenyl]sulfanylphenol?
The InChIKey is BBKORXIIJMKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12/h1-8,15H,9,14H2.
What are the key properties of 4-[2-(aminomethyl)phenyl]sulfanylphenol?
4-[2-(aminomethyl)phenyl]sulfanylphenol has a molecular weight of 231.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenyl]sulfanylphenol is sourced from PubChem (CID 826502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).