[1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate

C12H16ClNO2 — CID 3051356

IUPAC[1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate
SMILESCC(=O)OC(CN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(15)16-12(8-14(2)3)10-4-6-11(13)7-5-10/h4-7,12H,8H2,1-3H3
InChIKeyVYWOETMEDKILLC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.51
Rot. Bonds4

About [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate

[1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate (PubChem CID 3051356) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate
PubChem CID3051356
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name[1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate
SMILESCC(=O)OC(CN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(15)16-12(8-14(2)3)10-4-6-11(13)7-5-10/h4-7,12H,8H2,1-3H3
InChIKeyVYWOETMEDKILLC-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate?
The IUPAC name of [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate (CID 3051356) is [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate?
The canonical SMILES for [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate is CC(=O)OC(CN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate?
The InChIKey is VYWOETMEDKILLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(15)16-12(8-14(2)3)10-4-6-11(13)7-5-10/h4-7,12H,8H2,1-3H3.
What are the key properties of [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate?
[1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate has a molecular weight of 241.72 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate is sourced from PubChem (CID 3051356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).