2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol

C9H15NOS — CID 93025500

IUPAC2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
SMILESCc1ccc([C@@H](C)NCCO)s1
InChIInChI=1S/C9H15NOS/c1-7-3-4-9(12-7)8(2)10-5-6-11/h3-4,8,10-11H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyGLHBGVYGDXFBJP-MRVPVSSYSA-N
MW185.29 g/mol
LogP1.70
Rot. Bonds4

About 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol

2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol (PubChem CID 93025500) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
PubChem CID93025500
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
SMILESCc1ccc([C@@H](C)NCCO)s1
InChIInChI=1S/C9H15NOS/c1-7-3-4-9(12-7)8(2)10-5-6-11/h3-4,8,10-11H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyGLHBGVYGDXFBJP-MRVPVSSYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
CID 115905377
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 55098145
6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol
CID 115891820

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol (CID 93025500) is 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol is Cc1ccc([C@@H](C)NCCO)s1.
What is the InChIKey of 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol?
The InChIKey is GLHBGVYGDXFBJP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7-3-4-9(12-7)8(2)10-5-6-11/h3-4,8,10-11H,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol?
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol has a molecular weight of 185.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol is sourced from PubChem (CID 93025500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).