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

C13H17NO2 — CID 43182921

IUPAC3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
SMILESCC(NCCCO)c1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-10(14-7-4-8-15)13-9-11-5-2-3-6-12(11)16-13/h2-3,5-6,9-10,14-15H,4,7-8H2,1H3
InChIKeyVBBNUJMBNQZZBM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.47
Rot. Bonds5

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

3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol (PubChem CID 43182921) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
PubChem CID43182921
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
SMILESCC(NCCCO)c1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-10(14-7-4-8-15)13-9-11-5-2-3-6-12(11)16-13/h2-3,5-6,9-10,14-15H,4,7-8H2,1H3
InChIKeyVBBNUJMBNQZZBM-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

N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207338
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906093
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231371
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783098

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol?
The IUPAC name of 3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol (CID 43182921) is 3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol is CC(NCCCO)c1cc2ccccc2o1.
What is the InChIKey of 3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol?
The InChIKey is VBBNUJMBNQZZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(14-7-4-8-15)13-9-11-5-2-3-6-12(11)16-13/h2-3,5-6,9-10,14-15H,4,7-8H2,1H3.
What are the key properties of 3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol?
3-[1-(1-benzofuran-2-yl)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 3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 43182921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).