2-(2-thiophen-2-ylethylamino)butan-1-ol

C10H17NOS — CID 13476298

IUPAC2-(2-thiophen-2-ylethylamino)butan-1-ol
SMILESCCC(CO)NCCc1cccs1
InChIInChI=1S/C10H17NOS/c1-2-9(8-12)11-6-5-10-4-3-7-13-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3
InChIKeyZCXGFULISOEILJ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.65
Rot. Bonds6

About 2-(2-thiophen-2-ylethylamino)butan-1-ol

2-(2-thiophen-2-ylethylamino)butan-1-ol (PubChem CID 13476298) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylamino)butan-1-ol
PubChem CID13476298
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-(2-thiophen-2-ylethylamino)butan-1-ol
SMILESCCC(CO)NCCc1cccs1
InChIInChI=1S/C10H17NOS/c1-2-9(8-12)11-6-5-10-4-3-7-13-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3
InChIKeyZCXGFULISOEILJ-UHFFFAOYSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-butan-1-ol
CID 3156001
1-({2-[(2-Thienylmethyl)amino]ethyl}amino)-2-propanol dihydrochloride
CID 16189374
2-[(2-{[(5-Methyl-2-thienyl)methyl]amino}ethyl)amino]ethanol dihydrochloride
CID 16189723
alpha-((Methylamino)methyl)-2-thiophenemethanol
CID 22498745
2-Methyl-2-(thiophen-2-ylmethylamino)propan-1-ol;hydrochloride
CID 16189453
2-Thiophenemethanol, alpha-(1-(isopropylamino)ethyl)-, hydrochloride
CID 208074
2-Thiophenemethanol, alpha-(1-(isobutylamino)ethyl)-, hydrochloride
CID 208076
2-Thiophenemethanol, alpha-(1-(tert-butylamino)ethyl)-, hydrochloride
CID 208078
2-Thiophenemethanol, alpha-(1-(sec-butylamino)ethyl)-, hydrochloride
CID 208080
(2-Methoxyethyl)[(thiophen-2-yl)methyl]amine
CID 4719999
2-Methyl-2-{[(3-methylthiophen-2-YL)methyl]amino}propan-1-OL
CID 834041
2-Methyl-2-[(thiophen-2-ylmethyl)amino]propan-1-ol
CID 834070

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylamino)butan-1-ol?
The IUPAC name of 2-(2-thiophen-2-ylethylamino)butan-1-ol (CID 13476298) is 2-(2-thiophen-2-ylethylamino)butan-1-ol.
What is the SMILES notation for 2-(2-thiophen-2-ylethylamino)butan-1-ol?
The canonical SMILES for 2-(2-thiophen-2-ylethylamino)butan-1-ol is CCC(CO)NCCc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethylamino)butan-1-ol?
The InChIKey is ZCXGFULISOEILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-2-9(8-12)11-6-5-10-4-3-7-13-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3.
What are the key properties of 2-(2-thiophen-2-ylethylamino)butan-1-ol?
2-(2-thiophen-2-ylethylamino)butan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethylamino)butan-1-ol is sourced from PubChem (CID 13476298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).