2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol

C9H15NOS — CID 115216347

IUPAC2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
SMILESCc1ccsc1CCNCCO
InChIInChI=1S/C9H15NOS/c1-8-3-7-12-9(8)2-4-10-5-6-11/h3,7,10-11H,2,4-6H2,1H3
InChIKeyXAIFMDDKPRVQMW-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.18
Rot. Bonds5

About 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol

2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol (PubChem CID 115216347) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
PubChem CID115216347
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
SMILESCc1ccsc1CCNCCO
InChIInChI=1S/C9H15NOS/c1-8-3-7-12-9(8)2-4-10-5-6-11/h3,7,10-11H,2,4-6H2,1H3
InChIKeyXAIFMDDKPRVQMW-UHFFFAOYSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115258076
1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 115121696
2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115897921
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
CID 172777676
CID 172777676
N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115897948
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol (CID 115216347) is 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol is Cc1ccsc1CCNCCO.
What is the InChIKey of 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol?
The InChIKey is XAIFMDDKPRVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8-3-7-12-9(8)2-4-10-5-6-11/h3,7,10-11H,2,4-6H2,1H3.
What are the key properties of 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol?
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol has a molecular weight of 185.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol is sourced from PubChem (CID 115216347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).