(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone

C16H19NO2 — CID 114736196

IUPAC(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)C3(N)CCCCC3)oc12
InChIInChI=1S/C16H19NO2/c1-11-6-5-7-12-10-13(19-14(11)12)15(18)16(17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,17H2,1H3
InChIKeyKGPBDFAXEZOXQE-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.59
Rot. Bonds2

About (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone

(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 114736196) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID114736196
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)C3(N)CCCCC3)oc12
InChIInChI=1S/C16H19NO2/c1-11-6-5-7-12-10-13(19-14(11)12)15(18)16(17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,17H2,1H3
InChIKeyKGPBDFAXEZOXQE-UHFFFAOYSA-N
XLogP3.59
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114725657
(2-amino-1-methylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114737310
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114737417
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
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
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
CID 114819752

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone (CID 114736196) is (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone is Cc1cccc2cc(C(=O)C3(N)CCCCC3)oc12.
What is the InChIKey of (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is KGPBDFAXEZOXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-6-5-7-12-10-13(19-14(11)12)15(18)16(17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,17H2,1H3.
What are the key properties of (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone?
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 257.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114736196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).