2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone

C18H23NO2 — CID 114737417

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)CC3(CN)CCCCC3)oc12
InChIInChI=1S/C18H23NO2/c1-13-6-5-7-14-10-16(21-17(13)14)15(20)11-18(12-19)8-3-2-4-9-18/h5-7,10H,2-4,8-9,11-12,19H2,1H3
InChIKeyAFNFNZJCDCYTBO-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.22
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 114737417) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
PubChem CID114737417
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)CC3(CN)CCCCC3)oc12
InChIInChI=1S/C18H23NO2/c1-13-6-5-7-14-10-16(21-17(13)14)15(20)11-18(12-19)8-3-2-4-9-18/h5-7,10H,2-4,8-9,11-12,19H2,1H3
InChIKeyAFNFNZJCDCYTBO-UHFFFAOYSA-N
XLogP4.22
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196
[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114725657
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone
CID 114737146
1-[1-(aminomethyl)cyclohexyl]-3-(2,6-dimethylphenyl)propan-2-one
CID 116614360
1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
CID 114736371
2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 119217742
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone (CID 114737417) is 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone is Cc1cccc2cc(C(=O)CC3(CN)CCCCC3)oc12.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is AFNFNZJCDCYTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-6-5-7-14-10-16(21-17(13)14)15(20)11-18(12-19)8-3-2-4-9-18/h5-7,10H,2-4,8-9,11-12,19H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 285.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114737417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).