[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone

C17H21NO2 — CID 114737007

IUPAC[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)C3CCC(CN)CC3)cc2c1
InChIInChI=1S/C17H21NO2/c1-11-2-7-15-14(8-11)9-16(20-15)17(19)13-5-3-12(10-18)4-6-13/h2,7-9,12-13H,3-6,10,18H2,1H3
InChIKeyIIVJELXYFLTLFM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.69
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone

[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 114737007) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID114737007
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)C3CCC(CN)CC3)cc2c1
InChIInChI=1S/C17H21NO2/c1-11-2-7-15-14(8-11)9-16(20-15)17(19)13-5-3-12(10-18)4-6-13/h2,7-9,12-13H,3-6,10,18H2,1H3
InChIKeyIIVJELXYFLTLFM-UHFFFAOYSA-N
XLogP3.69
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725432
[4-(aminomethyl)cyclohexyl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737009
azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736841
[2-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736859
(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105105126
1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
CID 64773771
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone
CID 65427667
[2-(aminomethyl)azepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 116639875
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725716
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone (CID 114737007) is [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)C3CCC(CN)CC3)cc2c1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is IIVJELXYFLTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-2-7-15-14(8-11)9-16(20-15)17(19)13-5-3-12(10-18)4-6-13/h2,7-9,12-13H,3-6,10,18H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114737007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).