2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride

C17H25ClNO3- — CID 45114073

IUPAC2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride
SMILESCN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.[Cl-]
InChIInChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H/p-1
InChIKeyRHKZVMUBMXGOLL-UHFFFAOYSA-M
MW326.84 g/mol
LogP-0.82
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride

2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride (PubChem CID 45114073) has the molecular formula C17H25ClNO3- and a molecular weight of 326.84 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride
PubChem CID45114073
Molecular FormulaC17H25ClNO3-
Molecular Weight326.84 g/mol
Exact Mass326.15
IUPAC Name2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride
SMILESCN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.[Cl-]
InChIInChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H/p-1
InChIKeyRHKZVMUBMXGOLL-UHFFFAOYSA-M
XLogP-0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride 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-(dimethylamino)ethyl (2R)-2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
CID 46224605
3-(4-methylpiperazin-1-yl)propyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;dihydrochloride
CID 134119198
benzyl-diethyl-[2-[2-(1-hydroxycyclohexyl)-2-phenylacetyl]oxyethyl]azanium bromide
CID 134828179
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
CID 53312763
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
CID 24834682
2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate
CID 25066162
diethyl-[2-[2-(1-hydroxy-2-methylcyclohexyl)-2-phenylacetyl]oxyethyl]-methylazanium bromide
CID 24833082
2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
CID 3046844

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride (CID 45114073) is 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride is CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.[Cl-].
What is the InChIKey of 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride?
The InChIKey is RHKZVMUBMXGOLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H/p-1.
What are the key properties of 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride?
2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride has a molecular weight of 326.84 g/mol, XLogP of -0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride is sourced from PubChem (CID 45114073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).