2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride

C15H22Cl3NO2 — CID 3027473

IUPAC2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride
SMILESCC(C)N(CCOC(=O)c1ccc(Cl)cc1Cl)C(C)C.Cl
InChIInChI=1S/C15H21Cl2NO2.ClH/c1-10(2)18(11(3)4)7-8-20-15(19)13-6-5-12(16)9-14(13)17;/h5-6,9-11H,7-8H2,1-4H3;1H
InChIKeyRDNRXNNXRDTDOW-UHFFFAOYSA-N
MW354.71 g/mol
LogP4.69
Rot. Bonds6

About 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride

2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride (PubChem CID 3027473) has the molecular formula C15H22Cl3NO2 and a molecular weight of 354.71 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride
PubChem CID3027473
Molecular FormulaC15H22Cl3NO2
Molecular Weight354.71 g/mol
Exact Mass353.07
IUPAC Name2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride
SMILESCC(C)N(CCOC(=O)c1ccc(Cl)cc1Cl)C(C)C.Cl
InChIInChI=1S/C15H21Cl2NO2.ClH/c1-10(2)18(11(3)4)7-8-20-15(19)13-6-5-12(16)9-14(13)17;/h5-6,9-11H,7-8H2,1-4H3;1H
InChIKeyRDNRXNNXRDTDOW-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.71
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride?
The IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride (CID 3027473) is 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride is CC(C)N(CCOC(=O)c1ccc(Cl)cc1Cl)C(C)C.Cl.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride?
The InChIKey is RDNRXNNXRDTDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2.ClH/c1-10(2)18(11(3)4)7-8-20-15(19)13-6-5-12(16)9-14(13)17;/h5-6,9-11H,7-8H2,1-4H3;1H.
What are the key properties of 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride?
2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride has a molecular weight of 354.71 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethyl 2,4-dichlorobenzoate;hydrochloride is sourced from PubChem (CID 3027473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).