2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone

C15H21NO3 — CID 116578600

IUPAC2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2(N)CCCC2)c(OC)c1
InChIInChI=1S/C15H21NO3/c1-18-11-5-6-12(14(9-11)19-2)13(17)10-15(16)7-3-4-8-15/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyVEJNLPXOXSKBFO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.55
Rot. Bonds5

About 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone

2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone (PubChem CID 116578600) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
PubChem CID116578600
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2(N)CCCC2)c(OC)c1
InChIInChI=1S/C15H21NO3/c1-18-11-5-6-12(14(9-11)19-2)13(17)10-15(16)7-3-4-8-15/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyVEJNLPXOXSKBFO-UHFFFAOYSA-N
XLogP2.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone 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

2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone
CID 116599360
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
1-(2,4-dimethoxyphenyl)pent-3-yn-1-one
CID 114964937
2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103434857
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 116579069

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone (CID 116578600) is 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CC2(N)CCCC2)c(OC)c1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is VEJNLPXOXSKBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-11-5-6-12(14(9-11)19-2)13(17)10-15(16)7-3-4-8-15/h5-6,9H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone?
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 116578600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).