2-[2-(aminomethyl)phenyl]sulfanylethanol

C9H13NOS — CID 63808391

IUPAC2-[2-(aminomethyl)phenyl]sulfanylethanol
SMILESNCc1ccccc1SCCO
InChIInChI=1S/C9H13NOS/c10-7-8-3-1-2-4-9(8)12-6-5-11/h1-4,11H,5-7,10H2
InChIKeyWVCDVKRMHVTKTI-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.23
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]sulfanylethanol

2-[2-(aminomethyl)phenyl]sulfanylethanol (PubChem CID 63808391) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]sulfanylethanol
PubChem CID63808391
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-[2-(aminomethyl)phenyl]sulfanylethanol
SMILESNCc1ccccc1SCCO
InChIInChI=1S/C9H13NOS/c10-7-8-3-1-2-4-9(8)12-6-5-11/h1-4,11H,5-7,10H2
InChIKeyWVCDVKRMHVTKTI-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)phenyl]sulfanylethanol 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

(2-propylsulfanylphenyl)methanamine
CID 43528783
2-(2-iodophenyl)sulfanylethanol
CID 131862769
2-[2-(propylaminomethyl)phenyl]sulfanylethanol
CID 63807692
[2-(aminomethyl)phenyl]sulfanyl-phenylmethanol
CID 66590008
2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 54185176
3-[2-(methylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 66126631
[2-(3-methylbutylsulfanyl)phenyl]methanol
CID 91658036
2-[2-(2-fluoroethylsulfanyl)phenyl]acetic acid
CID 84680363
(2-butan-2-ylsulfanylphenyl)methanamine
CID 43528764
3-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 66126419
2-(aminomethyl)phenol;methane
CID 158060419
1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
CID 63818813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]sulfanylethanol?
The IUPAC name of 2-[2-(aminomethyl)phenyl]sulfanylethanol (CID 63808391) is 2-[2-(aminomethyl)phenyl]sulfanylethanol.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]sulfanylethanol?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]sulfanylethanol is NCc1ccccc1SCCO.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]sulfanylethanol?
The InChIKey is WVCDVKRMHVTKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-7-8-3-1-2-4-9(8)12-6-5-11/h1-4,11H,5-7,10H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]sulfanylethanol?
2-[2-(aminomethyl)phenyl]sulfanylethanol has a molecular weight of 183.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]sulfanylethanol is sourced from PubChem (CID 63808391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).