1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol

C13H24N2O2S — CID 113317632

IUPAC1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCOCCNCC(O)CN(C)CCc1cccs1
InChIInChI=1S/C13H24N2O2S/c1-15(7-5-13-4-3-9-18-13)11-12(16)10-14-6-8-17-2/h3-4,9,12,14,16H,5-8,10-11H2,1-2H3
InChIKeySFBOEVGSYIUTDA-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.82
Rot. Bonds10

About 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol

1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol (PubChem CID 113317632) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
PubChem CID113317632
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCOCCNCC(O)CN(C)CCc1cccs1
InChIInChI=1S/C13H24N2O2S/c1-15(7-5-13-4-3-9-18-13)11-12(16)10-14-6-8-17-2/h3-4,9,12,14,16H,5-8,10-11H2,1-2H3
InChIKeySFBOEVGSYIUTDA-UHFFFAOYSA-N
XLogP0.82
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317433
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80690433
1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475001
1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol
CID 113317474
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 79472265
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol (CID 113317632) is 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol is COCCNCC(O)CN(C)CCc1cccs1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The InChIKey is SFBOEVGSYIUTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-15(7-5-13-4-3-9-18-13)11-12(16)10-14-6-8-17-2/h3-4,9,12,14,16H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol has a molecular weight of 272.41 g/mol, XLogP of 0.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 113317632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).