2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride

C19H24ClNO3 — CID 21719

IUPAC2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1O.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15;/h5-12,21H,3-4,13-14H2,1-2H3;1H
InChIKeyIBBPBOICXYUQID-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.98
Rot. Bonds7

About 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride

2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride (PubChem CID 21719) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride
PubChem CID21719
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1O.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15;/h5-12,21H,3-4,13-14H2,1-2H3;1H
InChIKeyIBBPBOICXYUQID-UHFFFAOYSA-N
XLogP3.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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{[2-(3-Benzoyl-biphenyl-4-yloxy)-ethyl]-methyl-amino}-acetic acid
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{[2-(3-Cyclohexanecarbonyl-biphenyl-4-yloxy)-ethyl]-methyl-amino}-acetic acid
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2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate
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[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 2350990
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate
CID 2371526
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxy-3-methylbenzoate
CID 2406897
[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
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Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, o-hydroxybenzoate
CID 52720

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride (CID 21719) is 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride is CCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1O.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride?
The InChIKey is IBBPBOICXYUQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3.ClH/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15;/h5-12,21H,3-4,13-14H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride?
2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate;hydrochloride is sourced from PubChem (CID 21719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).