3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride

C13H19Cl2NO2 — CID 2928499

IUPAC3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride
SMILESCN(C)CCCOC(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClNO2.ClH/c1-15(2)8-3-9-17-13(16)10-11-4-6-12(14)7-5-11;/h4-7H,3,8-10H2,1-2H3;1H
InChIKeyINIJBKQVPICGAJ-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.80
Rot. Bonds6

About 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride

3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride (PubChem CID 2928499) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride
PubChem CID2928499
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride
SMILESCN(C)CCCOC(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClNO2.ClH/c1-15(2)8-3-9-17-13(16)10-11-4-6-12(14)7-5-11;/h4-7H,3,8-10H2,1-2H3;1H
InChIKeyINIJBKQVPICGAJ-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride?
The IUPAC name of 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride (CID 2928499) is 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride is CN(C)CCCOC(=O)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride?
The InChIKey is INIJBKQVPICGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2.ClH/c1-15(2)8-3-9-17-13(16)10-11-4-6-12(14)7-5-11;/h4-7H,3,8-10H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride?
3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride has a molecular weight of 292.21 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-(4-chlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 2928499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).