2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride

C15H24ClNO3 — CID 8694

IUPAC2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride
SMILESCCOc1ccc(C(=O)OCCN(CC)CC)cc1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3;/h7-10H,4-6,11-12H2,1-3H3;1H
InChIKeySFLZPZAKIKUJKP-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.01
Rot. Bonds8

About 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride

2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride (PubChem CID 8694) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride
PubChem CID8694
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride
SMILESCCOc1ccc(C(=O)OCCN(CC)CC)cc1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3;/h7-10H,4-6,11-12H2,1-3H3;1H
InChIKeySFLZPZAKIKUJKP-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride (CID 8694) is 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride is CCOc1ccc(C(=O)OCCN(CC)CC)cc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride?
The InChIKey is SFLZPZAKIKUJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3;/h7-10H,4-6,11-12H2,1-3H3;1H.
What are the key properties of 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride?
2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride is sourced from PubChem (CID 8694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).