2-amino-2-(4-methylthiophen-3-yl)ethanol

C7H11NOS — CID 84763905

IUPAC2-amino-2-(4-methylthiophen-3-yl)ethanol
SMILESCc1cscc1C(N)CO
InChIInChI=1S/C7H11NOS/c1-5-3-10-4-6(5)7(8)2-9/h3-4,7,9H,2,8H2,1H3
InChIKeyFZXGOTOXXNPBSE-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.05
Rot. Bonds2

About 2-amino-2-(4-methylthiophen-3-yl)ethanol

2-amino-2-(4-methylthiophen-3-yl)ethanol (PubChem CID 84763905) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-amino-2-(4-methylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-methylthiophen-3-yl)ethanol
PubChem CID84763905
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-amino-2-(4-methylthiophen-3-yl)ethanol
SMILESCc1cscc1C(N)CO
InChIInChI=1S/C7H11NOS/c1-5-3-10-4-6(5)7(8)2-9/h3-4,7,9H,2,8H2,1H3
InChIKeyFZXGOTOXXNPBSE-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(4-methylthiophen-3-yl)ethanol 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

4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine
CID 114475513
1-(4-methylthiophen-3-yl)hex-4-yn-1-amine
CID 104806929
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79807982
2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79803199
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802123
2-amino-2-(2,3,5-trimethylphenyl)ethanol
CID 117278132
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
CID 117302199
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylthiophen-3-yl)ethanol?
The IUPAC name of 2-amino-2-(4-methylthiophen-3-yl)ethanol (CID 84763905) is 2-amino-2-(4-methylthiophen-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-methylthiophen-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-methylthiophen-3-yl)ethanol is Cc1cscc1C(N)CO.
What is the InChIKey of 2-amino-2-(4-methylthiophen-3-yl)ethanol?
The InChIKey is FZXGOTOXXNPBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5-3-10-4-6(5)7(8)2-9/h3-4,7,9H,2,8H2,1H3.
What are the key properties of 2-amino-2-(4-methylthiophen-3-yl)ethanol?
2-amino-2-(4-methylthiophen-3-yl)ethanol has a molecular weight of 157.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylthiophen-3-yl)ethanol is sourced from PubChem (CID 84763905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).