1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine

C17H25NO2 — CID 65047423

IUPAC1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine
SMILESCOCC(NC(C)c1oc2ccccc2c1C)C(C)C
InChIInChI=1S/C17H25NO2/c1-11(2)15(10-19-5)18-13(4)17-12(3)14-8-6-7-9-16(14)20-17/h6-9,11,13,15,18H,10H2,1-5H3
InChIKeyJFPHLXUFNUGMRW-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.06
Rot. Bonds6

About 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine

1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine (PubChem CID 65047423) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine
PubChem CID65047423
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine
SMILESCOCC(NC(C)c1oc2ccccc2c1C)C(C)C
InChIInChI=1S/C17H25NO2/c1-11(2)15(10-19-5)18-13(4)17-12(3)14-8-6-7-9-16(14)20-17/h6-9,11,13,15,18H,10H2,1-5H3
InChIKeyJFPHLXUFNUGMRW-UHFFFAOYSA-N
XLogP4.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol
CID 103786449
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
1-(furan-2-yl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43776740
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055
N-(2-methoxyethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 115707962
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]hex-5-yn-3-amine
CID 115723565
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81393232

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine (CID 65047423) is 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine is COCC(NC(C)c1oc2ccccc2c1C)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine?
The InChIKey is JFPHLXUFNUGMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(2)15(10-19-5)18-13(4)17-12(3)14-8-6-7-9-16(14)20-17/h6-9,11,13,15,18H,10H2,1-5H3.
What are the key properties of 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine?
1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 65047423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).