2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one

C15H18FNO2 — CID 114737121

IUPAC2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
SMILESCC(C)CC(CN)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H18FNO2/c1-9(2)5-11(8-17)15(18)14-7-10-6-12(16)3-4-13(10)19-14/h3-4,6-7,9,11H,5,8,17H2,1-2H3
InChIKeyQTUUJYIDEOJFLX-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.38
Rot. Bonds5

About 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one

2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one (PubChem CID 114737121) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
PubChem CID114737121
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
SMILESCC(C)CC(CN)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H18FNO2/c1-9(2)5-11(8-17)15(18)14-7-10-6-12(16)3-4-13(10)19-14/h3-4,6-7,9,11H,5,8,17H2,1-2H3
InChIKeyQTUUJYIDEOJFLX-UHFFFAOYSA-N
XLogP3.38
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114736896
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
CID 111447978
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114737162
N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 176698289

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one (CID 114737121) is 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one is CC(C)CC(CN)C(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one?
The InChIKey is QTUUJYIDEOJFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-9(2)5-11(8-17)15(18)14-7-10-6-12(16)3-4-13(10)19-14/h3-4,6-7,9,11H,5,8,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one?
2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one has a molecular weight of 263.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one is sourced from PubChem (CID 114737121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).