2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride

C23H30Cl3NO2 — CID 44537021

IUPAC2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride
SMILESCCCC(C(=O)OCCN(CC)CC)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H29Cl2NO2.ClH/c1-4-15-23(18-7-11-20(24)12-8-18,19-9-13-21(25)14-10-19)22(27)28-17-16-26(5-2)6-3;/h7-14H,4-6,15-17H2,1-3H3;1H
InChIKeyRMIUUXHITNGXTQ-UHFFFAOYSA-N
MW458.86 g/mol
LogP6.39
Rot. Bonds10

About 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride

2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride (PubChem CID 44537021) has the molecular formula C23H30Cl3NO2 and a molecular weight of 458.86 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride
PubChem CID44537021
Molecular FormulaC23H30Cl3NO2
Molecular Weight458.86 g/mol
Exact Mass457.13
IUPAC Name2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride
SMILESCCCC(C(=O)OCCN(CC)CC)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H29Cl2NO2.ClH/c1-4-15-23(18-7-11-20(24)12-8-18,19-9-13-21(25)14-10-19)22(27)28-17-16-26(5-2)6-3;/h7-14H,4-6,15-17H2,1-3H3;1H
InChIKeyRMIUUXHITNGXTQ-UHFFFAOYSA-N
XLogP6.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.86
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride (CID 44537021) is 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride is CCCC(C(=O)OCCN(CC)CC)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride?
The InChIKey is RMIUUXHITNGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2NO2.ClH/c1-4-15-23(18-7-11-20(24)12-8-18,19-9-13-21(25)14-10-19)22(27)28-17-16-26(5-2)6-3;/h7-14H,4-6,15-17H2,1-3H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride?
2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride has a molecular weight of 458.86 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride is sourced from PubChem (CID 44537021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).