2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride

C14H22ClNO2 — CID 44522607

IUPAC2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride
SMILESCCCN(CC)CCOC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-3-10-15(4-2)11-12-17-14(16)13-8-6-5-7-9-13;/h5-9H,3-4,10-12H2,1-2H3;1H
InChIKeyYUQIOOAFFKRXQE-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.00
Rot. Bonds7

About 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride

2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride (PubChem CID 44522607) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride
PubChem CID44522607
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride
SMILESCCCN(CC)CCOC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-3-10-15(4-2)11-12-17-14(16)13-8-6-5-7-9-13;/h5-9H,3-4,10-12H2,1-2H3;1H
InChIKeyYUQIOOAFFKRXQE-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride?
The IUPAC name of 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride (CID 44522607) is 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride.
What is the SMILES notation for 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride?
The canonical SMILES for 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride is CCCN(CC)CCOC(=O)c1ccccc1.Cl.
What is the InChIKey of 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride?
The InChIKey is YUQIOOAFFKRXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-3-10-15(4-2)11-12-17-14(16)13-8-6-5-7-9-13;/h5-9H,3-4,10-12H2,1-2H3;1H.
What are the key properties of 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride?
2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]ethyl benzoate;hydrochloride is sourced from PubChem (CID 44522607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).