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

C10H17NOS — CID 13476299

IUPAC1-(2-thiophen-2-ylethylamino)butan-2-ol
SMILESCCC(O)CNCCc1cccs1
InChIInChI=1S/C10H17NOS/c1-2-9(12)8-11-6-5-10-4-3-7-13-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3
InChIKeyJGJDNCGFBCCRMS-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.65
Rot. Bonds6

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

1-(2-thiophen-2-ylethylamino)butan-2-ol (PubChem CID 13476299) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethylamino)butan-2-ol
PubChem CID13476299
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-(2-thiophen-2-ylethylamino)butan-2-ol
SMILESCCC(O)CNCCc1cccs1
InChIInChI=1S/C10H17NOS/c1-2-9(12)8-11-6-5-10-4-3-7-13-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3
InChIKeyJGJDNCGFBCCRMS-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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
1-(2-ethylhexoxy)-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 60899325
2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide
CID 106174788
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
1-[(2-fluorophenyl)methoxy]-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 60897038
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60724741
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea
CID 111120759
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethylamino)butan-2-ol?
The IUPAC name of 1-(2-thiophen-2-ylethylamino)butan-2-ol (CID 13476299) is 1-(2-thiophen-2-ylethylamino)butan-2-ol.
What is the SMILES notation for 1-(2-thiophen-2-ylethylamino)butan-2-ol?
The canonical SMILES for 1-(2-thiophen-2-ylethylamino)butan-2-ol is CCC(O)CNCCc1cccs1.
What is the InChIKey of 1-(2-thiophen-2-ylethylamino)butan-2-ol?
The InChIKey is JGJDNCGFBCCRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-2-9(12)8-11-6-5-10-4-3-7-13-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3.
What are the key properties of 1-(2-thiophen-2-ylethylamino)butan-2-ol?
1-(2-thiophen-2-ylethylamino)butan-2-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 1-(2-thiophen-2-ylethylamino)butan-2-ol is sourced from PubChem (CID 13476299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).