2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride

C12H18ClNO2 — CID 2930131

IUPAC2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
SMILESCN(C)CCOC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-13(2)8-9-15-12(14)10-11-6-4-3-5-7-11;/h3-7H,8-10H2,1-2H3;1H
InChIKeyUYXGGPXDOICQJO-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.76
Rot. Bonds5

About 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride

2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride (PubChem CID 2930131) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
PubChem CID2930131
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
SMILESCN(C)CCOC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-13(2)8-9-15-12(14)10-11-6-4-3-5-7-11;/h3-7H,8-10H2,1-2H3;1H
InChIKeyUYXGGPXDOICQJO-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride (CID 2930131) is 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride is CN(C)CCOC(=O)Cc1ccccc1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride?
The InChIKey is UYXGGPXDOICQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-13(2)8-9-15-12(14)10-11-6-4-3-5-7-11;/h3-7H,8-10H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride?
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride is sourced from PubChem (CID 2930131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).