1-(diethylamino)-3-thiophen-2-ylpropan-2-ol

C11H19NOS — CID 121219027

IUPAC1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
SMILESCCN(CC)CC(O)Cc1cccs1
InChIInChI=1S/C11H19NOS/c1-3-12(4-2)9-10(13)8-11-6-5-7-14-11/h5-7,10,13H,3-4,8-9H2,1-2H3
InChIKeyDXWKNMWPYWEMCY-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.99
Rot. Bonds6

About 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol

1-(diethylamino)-3-thiophen-2-ylpropan-2-ol (PubChem CID 121219027) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
PubChem CID121219027
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
SMILESCCN(CC)CC(O)Cc1cccs1
InChIInChI=1S/C11H19NOS/c1-3-12(4-2)9-10(13)8-11-6-5-7-14-11/h5-7,10,13H,3-4,8-9H2,1-2H3
InChIKeyDXWKNMWPYWEMCY-UHFFFAOYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861
2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 63619196
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol
CID 79063568
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
1-butan-2-ylsulfanyl-3-thiophen-2-ylpropan-2-ol
CID 65136233
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359
1-(dimethylamino)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291858
3-[ethyl(2-thiophen-2-ylethyl)amino]-2-methylpropanoic acid
CID 63774209

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol (CID 121219027) is 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol is CCN(CC)CC(O)Cc1cccs1.
What is the InChIKey of 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol?
The InChIKey is DXWKNMWPYWEMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-3-12(4-2)9-10(13)8-11-6-5-7-14-11/h5-7,10,13H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol?
1-(diethylamino)-3-thiophen-2-ylpropan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 121219027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).