3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol

C14H19NO3 — CID 166892615

IUPAC3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol
SMILESCCNC(CO)C(C)(O)c1ccc2ccoc2c1
InChIInChI=1S/C14H19NO3/c1-3-15-13(9-16)14(2,17)11-5-4-10-6-7-18-12(10)8-11/h4-8,13,15-17H,3,9H2,1-2H3
InChIKeyHMQVIDFDPLMMFJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.61
Rot. Bonds5

About 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol

3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol (PubChem CID 166892615) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol.

Molecular Properties

Compound Name3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol
PubChem CID166892615
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol
SMILESCCNC(CO)C(C)(O)c1ccc2ccoc2c1
InChIInChI=1S/C14H19NO3/c1-3-15-13(9-16)14(2,17)11-5-4-10-6-7-18-12(10)8-11/h4-8,13,15-17H,3,9H2,1-2H3
InChIKeyHMQVIDFDPLMMFJ-UHFFFAOYSA-N
XLogP1.61
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol
CID 168924273
3-(1-benzofuran-5-yl)-4,4,4-trichloro-2-(ethylamino)-3-methylbutan-1-ol
CID 166892759
3-(1-benzofuran-5-yl)-4,4-dichloro-2-(ethylamino)butane-1,3-diol
CID 163660314
3-(1-benzofuran-5-yl)-2-(ethylamino)heptane-1,3-diol
CID 163422710
3-(1-benzofuran-6-yl)-3,4,4-trifluoro-2-(methylamino)butan-1-ol
CID 166892359
3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924123
3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
CID 166892632
CID 168924235
CID 168924235
2-(1-benzofuran-6-yl)-4-chloro-1-fluoro-3-(methylamino)butan-2-ol
CID 166892349
1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
CID 166892629
1-(1-benzofuran-6-yl)-4-chloro-2-(ethylamino)butan-1-ol
CID 163780853
3-(1-benzofuran-5-yl)-4-chloro-3-methyl-2-(methylamino)butan-1-ol
CID 166892730

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol?
The IUPAC name of 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol (CID 166892615) is 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol.
What is the SMILES notation for 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol?
The canonical SMILES for 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol is CCNC(CO)C(C)(O)c1ccc2ccoc2c1.
What is the InChIKey of 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol?
The InChIKey is HMQVIDFDPLMMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-15-13(9-16)14(2,17)11-5-4-10-6-7-18-12(10)8-11/h4-8,13,15-17H,3,9H2,1-2H3.
What are the key properties of 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol?
3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol has a molecular weight of 249.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol is sourced from PubChem (CID 166892615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).