1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone

C14H17Cl2NO — CID 107311389

IUPAC1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
SMILESNCC1CCCC1C(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2NO/c15-12-6-2-3-9(14(12)16)7-13(18)11-5-1-4-10(11)8-17/h2-3,6,10-11H,1,4-5,7-8,17H2
InChIKeyJICINXMGQZFHSI-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.48
Rot. Bonds4

About 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone

1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone (PubChem CID 107311389) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
PubChem CID107311389
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
SMILESNCC1CCCC1C(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2NO/c15-12-6-2-3-9(14(12)16)7-13(18)11-5-1-4-10(11)8-17/h2-3,6,10-11H,1,4-5,7-8,17H2
InChIKeyJICINXMGQZFHSI-UHFFFAOYSA-N
XLogP3.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)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

1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
CID 116584564
1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584628
1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
CID 116584506
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
CID 116584625
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107311653

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone (CID 107311389) is 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone is NCC1CCCC1C(=O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone?
The InChIKey is JICINXMGQZFHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-12-6-2-3-9(14(12)16)7-13(18)11-5-1-4-10(11)8-17/h2-3,6,10-11H,1,4-5,7-8,17H2.
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone?
1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone has a molecular weight of 286.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 107311389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).