1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C14H25NO3S — CID 106991861

IUPAC1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCN(Cc1cccs1)CC(O)COC(C)COC
InChIInChI=1S/C14H25NO3S/c1-4-15(9-14-6-5-7-19-14)8-13(16)11-18-12(2)10-17-3/h5-7,12-13,16H,4,8-11H2,1-3H3
InChIKeyLYANGBOTDQDCIP-UHFFFAOYSA-N
MW287.42 g/mol
LogP1.98
Rot. Bonds10

About 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106991861) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106991861
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCCN(Cc1cccs1)CC(O)COC(C)COC
InChIInChI=1S/C14H25NO3S/c1-4-15(9-14-6-5-7-19-14)8-13(16)11-18-12(2)10-17-3/h5-7,12-13,16H,4,8-11H2,1-3H3
InChIKeyLYANGBOTDQDCIP-UHFFFAOYSA-N
XLogP1.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161338
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 106989341
(2S)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161343
N'-ethyl-N-(1-methoxypropan-2-yl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558030
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 63619196
1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
CID 121219027
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46006985
1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 63932948

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106991861) is 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is CCN(Cc1cccs1)CC(O)COC(C)COC.
What is the InChIKey of 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is LYANGBOTDQDCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-4-15(9-14-6-5-7-19-14)8-13(16)11-18-12(2)10-17-3/h5-7,12-13,16H,4,8-11H2,1-3H3.
What are the key properties of 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 287.42 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106991861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).