1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine

C14H19NO2 — CID 43403744

IUPAC1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-3-16-9-8-15-11(2)14-10-12-6-4-5-7-13(12)17-14/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyYQDTXCWNROXCFD-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.12
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine

1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine (PubChem CID 43403744) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
PubChem CID43403744
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-3-16-9-8-15-11(2)14-10-12-6-4-5-7-13(12)17-14/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyYQDTXCWNROXCFD-UHFFFAOYSA-N
XLogP3.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
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
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207338
4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906093
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
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
1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783098
1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66416307
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine (CID 43403744) is 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine is CCOCCNC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine?
The InChIKey is YQDTXCWNROXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-16-9-8-15-11(2)14-10-12-6-4-5-7-13(12)17-14/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine?
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine has a molecular weight of 233.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 43403744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).