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

C10H17NOS — CID 43207104

IUPAC2-(1-thiophen-2-ylethylamino)butan-1-ol
SMILESCCC(CO)NC(C)c1cccs1
InChIInChI=1S/C10H17NOS/c1-3-9(7-12)11-8(2)10-5-4-6-13-10/h4-6,8-9,11-12H,3,7H2,1-2H3
InChIKeyFFUAMZQJCPNYJK-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.17
Rot. Bonds5

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

2-(1-thiophen-2-ylethylamino)butan-1-ol (PubChem CID 43207104) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(1-thiophen-2-ylethylamino)butan-1-ol
PubChem CID43207104
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-(1-thiophen-2-ylethylamino)butan-1-ol
SMILESCCC(CO)NC(C)c1cccs1
InChIInChI=1S/C10H17NOS/c1-3-9(7-12)11-8(2)10-5-4-6-13-10/h4-6,8-9,11-12H,3,7H2,1-2H3
InChIKeyFFUAMZQJCPNYJK-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
CID 115888558
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzene-1,3-diol
CID 107711318
(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol
CID 97232173
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylethylamino)butan-1-ol?
The IUPAC name of 2-(1-thiophen-2-ylethylamino)butan-1-ol (CID 43207104) is 2-(1-thiophen-2-ylethylamino)butan-1-ol.
What is the SMILES notation for 2-(1-thiophen-2-ylethylamino)butan-1-ol?
The canonical SMILES for 2-(1-thiophen-2-ylethylamino)butan-1-ol is CCC(CO)NC(C)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylethylamino)butan-1-ol?
The InChIKey is FFUAMZQJCPNYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-9(7-12)11-8(2)10-5-4-6-13-10/h4-6,8-9,11-12H,3,7H2,1-2H3.
What are the key properties of 2-(1-thiophen-2-ylethylamino)butan-1-ol?
2-(1-thiophen-2-ylethylamino)butan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylethylamino)butan-1-ol is sourced from PubChem (CID 43207104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).