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

C13H17NO2 — CID 71150503

IUPAC1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
SMILESCCNCCC(O)c1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-2-14-8-7-11(15)13-9-10-5-3-4-6-12(10)16-13/h3-6,9,11,14-15H,2,7-8H2,1H3
InChIKeyTUZBKMGXUUPTBK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.47
Rot. Bonds5

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

1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol (PubChem CID 71150503) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
PubChem CID71150503
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
SMILESCCNCCC(O)c1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-2-14-8-7-11(15)13-9-10-5-3-4-6-12(10)16-13/h3-6,9,11,14-15H,2,7-8H2,1H3
InChIKeyTUZBKMGXUUPTBK-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 71804286
(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
CID 97414269
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-bromofuran-2-carboxamide
CID 97414288
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804285
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(oxan-4-yl)urea
CID 91812855
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783098

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol (CID 71150503) is 1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol is CCNCCC(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol?
The InChIKey is TUZBKMGXUUPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-14-8-7-11(15)13-9-10-5-3-4-6-12(10)16-13/h3-6,9,11,14-15H,2,7-8H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol?
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol has a molecular weight of 219.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol is sourced from PubChem (CID 71150503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).