1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine

C14H19NO2 — CID 105184765

IUPAC1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
SMILESCOCC(C)CC(N)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-10(9-16-2)7-12(15)14-8-11-5-3-4-6-13(11)17-14/h3-6,8,10,12H,7,9,15H2,1-2H3
InChIKeyGXZPZXTZVRYRSR-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.11
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine

1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine (PubChem CID 105184765) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
PubChem CID105184765
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
SMILESCOCC(C)CC(N)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-10(9-16-2)7-12(15)14-8-11-5-3-4-6-13(11)17-14/h3-6,8,10,12H,7,9,15H2,1-2H3
InChIKeyGXZPZXTZVRYRSR-UHFFFAOYSA-N
XLogP3.11
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-2-(1-benzofuran-2-yl)ethanol
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(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
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1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
CID 114728782
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
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1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
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1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine (CID 105184765) is 1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine is COCC(C)CC(N)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine?
The InChIKey is GXZPZXTZVRYRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(9-16-2)7-12(15)14-8-11-5-3-4-6-13(11)17-14/h3-6,8,10,12H,7,9,15H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine?
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.11, 5 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)-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 105184765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).