3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol

C13H17NO2 — CID 163688101

IUPAC3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)Cc1ccc2occc2c1
InChIInChI=1S/C13H17NO2/c1-2-14-12(9-15)8-10-3-4-13-11(7-10)5-6-16-13/h3-7,12,14-15H,2,8-9H2,1H3
InChIKeyJQQBZEGTHZOQBA-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.95
Rot. Bonds5

About 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol

3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol (PubChem CID 163688101) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol
PubChem CID163688101
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)Cc1ccc2occc2c1
InChIInChI=1S/C13H17NO2/c1-2-14-12(9-15)8-10-3-4-13-11(7-10)5-6-16-13/h3-7,12,14-15H,2,8-9H2,1H3
InChIKeyJQQBZEGTHZOQBA-UHFFFAOYSA-N
XLogP1.95
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-benzofuran-5-yl)butan-2-amine
CID 168924100
methyl 2-amino-3-(1-benzofuran-5-yl)propanoate
CID 170883536
3-(1-benzofuran-5-yl)-2-(ethylamino)hexan-1-ol
CID 166892606
3-(1-benzofuran-5-yl)-2-methylpropanal
CID 83829075
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-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924123
2-(1-benzofuran-5-yl)-1-cyclobutyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylpentan-2-amine
CID 168925996
3-(1-benzofuran-5-yl)-2-(ethylamino)heptane-1,3-diol
CID 163422710
2-(1-benzofuran-5-yl)-N-methylethanamine
CID 168924293
2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane
CID 168924257
2-(1-benzofuran-5-yl)-1-cyclopropylethanamine
CID 83831831

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol (CID 163688101) is 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol is CCNC(CO)Cc1ccc2occc2c1.
What is the InChIKey of 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol?
The InChIKey is JQQBZEGTHZOQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-14-12(9-15)8-10-3-4-13-11(7-10)5-6-16-13/h3-7,12,14-15H,2,8-9H2,1H3.
What are the key properties of 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol?
3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol has a molecular weight of 219.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 163688101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).