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

C10H17NO2S — CID 63931946

IUPAC1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESCCOCC(O)CNCc1ccsc1
InChIInChI=1S/C10H17NO2S/c1-2-13-7-10(12)6-11-5-9-3-4-14-8-9/h3-4,8,10-12H,2,5-7H2,1H3
InChIKeyLNNQHGFMLRXCCZ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.24
Rot. Bonds7

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

1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol (PubChem CID 63931946) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
PubChem CID63931946
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESCCOCC(O)CNCc1ccsc1
InChIInChI=1S/C10H17NO2S/c1-2-13-7-10(12)6-11-5-9-3-4-14-8-9/h3-4,8,10-12H,2,5-7H2,1H3
InChIKeyLNNQHGFMLRXCCZ-UHFFFAOYSA-N
XLogP1.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248314
1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248312
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol
CID 63933180
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(2-ethoxyethoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632375
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol (CID 63931946) is 1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol is CCOCC(O)CNCc1ccsc1.
What is the InChIKey of 1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol?
The InChIKey is LNNQHGFMLRXCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-2-13-7-10(12)6-11-5-9-3-4-14-8-9/h3-4,8,10-12H,2,5-7H2,1H3.
What are the key properties of 1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol?
1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 63931946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).