2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride

C16H23ClNO2- — CID 53312763

IUPAC2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
SMILESCN(C)CCOC(=O)C1(c2ccccc2)CCCC1.[Cl-]
InChIInChI=1S/C16H23NO2.ClH/c1-17(2)12-13-19-15(18)16(10-6-7-11-16)14-8-4-3-5-9-14;/h3-5,8-9H,6-7,10-13H2,1-2H3;1H/p-1
InChIKeyPGHDZDJZLPPKDZ-UHFFFAOYSA-M
MW296.82 g/mol
LogP-0.39
Rot. Bonds5

About 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride

2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride (PubChem CID 53312763) has the molecular formula C16H23ClNO2- and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
PubChem CID53312763
Molecular FormulaC16H23ClNO2-
Molecular Weight296.82 g/mol
Exact Mass296.14
IUPAC Name2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
SMILESCN(C)CCOC(=O)C1(c2ccccc2)CCCC1.[Cl-]
InChIInChI=1S/C16H23NO2.ClH/c1-17(2)12-13-19-15(18)16(10-6-7-11-16)14-8-4-3-5-9-14;/h3-5,8-9H,6-7,10-13H2,1-2H3;1H/p-1
InChIKeyPGHDZDJZLPPKDZ-UHFFFAOYSA-M
XLogP-0.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate
CID 25066162
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
trimethyl-[2-(1-phenylcyclopentanecarbonyl)oxyethyl]azanium chloride
CID 163331456
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;methyl acetate;hydrochloride
CID 67678429
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
1-[3-(dimethylamino)propylamino]ethyl 1-phenylcyclopentane-1-carboxylate
CID 142693281
2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride
CID 45114073
bis(ethyl-[2-(1-phenylcyclohexanecarbonyl)oxyethyl]azanium);sulfate
CID 162394226
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
2-(1,3-dioxoisoindol-2-yl)ethyl 1-phenylcyclobutane-1-carboxylate
CID 27097065
2-(dimethylamino)ethyl (2R)-2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
CID 46224605

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride?
The IUPAC name of 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride (CID 53312763) is 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride?
The canonical SMILES for 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride is CN(C)CCOC(=O)C1(c2ccccc2)CCCC1.[Cl-].
What is the InChIKey of 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride?
The InChIKey is PGHDZDJZLPPKDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H23NO2.ClH/c1-17(2)12-13-19-15(18)16(10-6-7-11-16)14-8-4-3-5-9-14;/h3-5,8-9H,6-7,10-13H2,1-2H3;1H/p-1.
What are the key properties of 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride?
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride has a molecular weight of 296.82 g/mol, XLogP of -0.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride is sourced from PubChem (CID 53312763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).