[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone

C17H15NO2 — CID 114736158

IUPAC[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)c3ccc(CN)cc3)oc12
InChIInChI=1S/C17H15NO2/c1-11-3-2-4-14-9-15(20-17(11)14)16(19)13-7-5-12(10-18)6-8-13/h2-9H,10,18H2,1H3
InChIKeyORHBUXXQXYOQJT-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.43
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone

[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 114736158) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID114736158
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)c3ccc(CN)cc3)oc12
InChIInChI=1S/C17H15NO2/c1-11-3-2-4-14-9-15(20-17(11)14)16(19)13-7-5-12(10-18)6-8-13/h2-9H,10,18H2,1H3
InChIKeyORHBUXXQXYOQJT-UHFFFAOYSA-N
XLogP3.43
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115808386
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(4-bromo-3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114726267
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 115808396
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone (CID 114736158) is [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone is Cc1cccc2cc(C(=O)c3ccc(CN)cc3)oc12.
What is the InChIKey of [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is ORHBUXXQXYOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-3-2-4-14-9-15(20-17(11)14)16(19)13-7-5-12(10-18)6-8-13/h2-9H,10,18H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone?
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114736158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).