2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride

C13H14ClNOS — CID 3080324

IUPAC2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride
SMILESCl.NCc1ccccc1Sc1ccccc1O
InChIInChI=1S/C13H13NOS.ClH/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15;/h1-8,15H,9,14H2;1H
InChIKeyDWBJDYCTRIEKMD-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.42
Rot. Bonds3

About 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride

2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride (PubChem CID 3080324) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride
PubChem CID3080324
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride
SMILESCl.NCc1ccccc1Sc1ccccc1O
InChIInChI=1S/C13H13NOS.ClH/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15;/h1-8,15H,9,14H2;1H
InChIKeyDWBJDYCTRIEKMD-UHFFFAOYSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride (CID 3080324) is 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride is Cl.NCc1ccccc1Sc1ccccc1O.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride?
The InChIKey is DWBJDYCTRIEKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS.ClH/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15;/h1-8,15H,9,14H2;1H.
What are the key properties of 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride?
2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride has a molecular weight of 267.78 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]sulfanylphenol;hydrochloride is sourced from PubChem (CID 3080324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).