1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine

C15H21NO2 — CID 113230976

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1cc2ccccc2o1
InChIInChI=1S/C15H21NO2/c1-3-16-13(8-6-10-17-2)15-11-12-7-4-5-9-14(12)18-15/h4-5,7,9,11,13,16H,3,6,8,10H2,1-2H3
InChIKeyZNDQEGKXKLXQIX-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.51
Rot. Bonds7

About 1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine

1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine (PubChem CID 113230976) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
PubChem CID113230976
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1cc2ccccc2o1
InChIInChI=1S/C15H21NO2/c1-3-16-13(8-6-10-17-2)15-11-12-7-4-5-9-14(12)18-15/h4-5,7,9,11,13,16H,3,6,8,10H2,1-2H3
InChIKeyZNDQEGKXKLXQIX-UHFFFAOYSA-N
XLogP3.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.51
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

1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983956
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
N-ethyl-1-(5-ethylfuran-2-yl)-4-methoxybutan-1-amine
CID 105054918
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine (CID 113230976) is 1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine is CCNC(CCCOC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine?
The InChIKey is ZNDQEGKXKLXQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16-13(8-6-10-17-2)15-11-12-7-4-5-9-14(12)18-15/h4-5,7,9,11,13,16H,3,6,8,10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine?
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.51, 7 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-ethyl-4-methoxybutan-1-amine is sourced from PubChem (CID 113230976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).