1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol

C12H22N2OS — CID 63248314

IUPAC1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccsc1
InChIInChI=1S/C12H22N2OS/c1-3-14(4-2)9-12(15)8-13-7-11-5-6-16-10-11/h5-6,10,12-13,15H,3-4,7-9H2,1-2H3
InChIKeyNWMMYIVZLXIWLI-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.54
Rot. Bonds8

About 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol

1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol (PubChem CID 63248314) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
PubChem CID63248314
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccsc1
InChIInChI=1S/C12H22N2OS/c1-3-14(4-2)9-12(15)8-13-7-11-5-6-16-10-11/h5-6,10,12-13,15H,3-4,7-9H2,1-2H3
InChIKeyNWMMYIVZLXIWLI-UHFFFAOYSA-N
XLogP1.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248312
1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63931946
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
CID 60900020
1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 106417397
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742
1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81176957
1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol
CID 111118599

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol (CID 63248314) is 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol is CCN(CC)CC(O)CNCc1ccsc1.
What is the InChIKey of 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol?
The InChIKey is NWMMYIVZLXIWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-14(4-2)9-12(15)8-13-7-11-5-6-16-10-11/h5-6,10,12-13,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol?
1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol has a molecular weight of 242.39 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 63248314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).