1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol

C14H19NO3 — CID 175788600

IUPAC1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
SMILESCCOc1cccc2cc(C(C)NC(C)O)oc12
InChIInChI=1S/C14H19NO3/c1-4-17-12-7-5-6-11-8-13(18-14(11)12)9(2)15-10(3)16/h5-10,15-16H,4H2,1-3H3
InChIKeyTWJRAWVFILWRLB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.82
Rot. Bonds5

About 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol

1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol (PubChem CID 175788600) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
PubChem CID175788600
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
SMILESCCOc1cccc2cc(C(C)NC(C)O)oc12
InChIInChI=1S/C14H19NO3/c1-4-17-12-7-5-6-11-8-13(18-14(11)12)9(2)15-10(3)16/h5-10,15-16H,4H2,1-3H3
InChIKeyTWJRAWVFILWRLB-UHFFFAOYSA-N
XLogP2.82
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol
CID 175788612
(1S)-N-[(1R)-1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(7-ethoxy-1-benzofuran-2-yl)ethanamine
CID 97321693
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol
CID 82264246
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133358731
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol?
The IUPAC name of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol (CID 175788600) is 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol.
What is the SMILES notation for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol?
The canonical SMILES for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol is CCOc1cccc2cc(C(C)NC(C)O)oc12.
What is the InChIKey of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol?
The InChIKey is TWJRAWVFILWRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-17-12-7-5-6-11-8-13(18-14(11)12)9(2)15-10(3)16/h5-10,15-16H,4H2,1-3H3.
What are the key properties of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol?
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol has a molecular weight of 249.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol is sourced from PubChem (CID 175788600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).