1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone

C15H20ClNO2 — CID 114950454

IUPAC1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cccc(Cl)c1)CC1(O)CCCC1
InChIInChI=1S/C15H20ClNO2/c1-17(11-15(19)7-2-3-8-15)10-14(18)12-5-4-6-13(16)9-12/h4-6,9,19H,2-3,7-8,10-11H2,1H3
InChIKeyNZEOKGZRBLZHDZ-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.76
Rot. Bonds5

About 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone

1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone (PubChem CID 114950454) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
PubChem CID114950454
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cccc(Cl)c1)CC1(O)CCCC1
InChIInChI=1S/C15H20ClNO2/c1-17(11-15(19)7-2-3-8-15)10-14(18)12-5-4-6-13(16)9-12/h4-6,9,19H,2-3,7-8,10-11H2,1H3
InChIKeyNZEOKGZRBLZHDZ-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]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-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950486
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one
CID 114950371
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
1-(3,4-dimethylphenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950501
(3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 79069935

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone (CID 114950454) is 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone is CN(CC(=O)c1cccc(Cl)c1)CC1(O)CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
The InChIKey is NZEOKGZRBLZHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-17(11-15(19)7-2-3-8-15)10-14(18)12-5-4-6-13(16)9-12/h4-6,9,19H,2-3,7-8,10-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone has a molecular weight of 281.78 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone is sourced from PubChem (CID 114950454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).