4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one

C14H17NO2 — CID 114737056

IUPAC4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
SMILESCc1ccc2oc(C(=O)C(C)CCN)cc2c1
InChIInChI=1S/C14H17NO2/c1-9-3-4-12-11(7-9)8-13(17-12)14(16)10(2)5-6-15/h3-4,7-8,10H,5-6,15H2,1-2H3
InChIKeyFHXABEIMILNJSV-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.91
Rot. Bonds4

About 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one

4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one (PubChem CID 114737056) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
PubChem CID114737056
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
SMILESCc1ccc2oc(C(=O)C(C)CCN)cc2c1
InChIInChI=1S/C14H17NO2/c1-9-3-4-12-11(7-9)8-13(17-12)14(16)10(2)5-6-15/h3-4,7-8,10H,5-6,15H2,1-2H3
InChIKeyFHXABEIMILNJSV-UHFFFAOYSA-N
XLogP2.91
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 114737402
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106357184
5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114737355
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one
CID 66469828
N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106152091
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
3,4,4-trimethyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808081
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 107493354

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one?
The IUPAC name of 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one (CID 114737056) is 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one.
What is the SMILES notation for 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one?
The canonical SMILES for 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one is Cc1ccc2oc(C(=O)C(C)CCN)cc2c1.
What is the InChIKey of 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one?
The InChIKey is FHXABEIMILNJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-3-4-12-11(7-9)8-13(17-12)14(16)10(2)5-6-15/h3-4,7-8,10H,5-6,15H2,1-2H3.
What are the key properties of 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one?
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one is sourced from PubChem (CID 114737056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).