2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride

C20H26ClNO2 — CID 24834682

IUPAC2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
SMILESCN(C)CCOC(=O)C(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21(2)13-14-23-20(22)19(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18;/h3-12,19H,13-16H2,1-2H3;1H
InChIKeyHPZLWIPJCRUMHE-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.61
Rot. Bonds8

About 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride

2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride (PubChem CID 24834682) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
PubChem CID24834682
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
SMILESCN(C)CCOC(=O)C(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21(2)13-14-23-20(22)19(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18;/h3-12,19H,13-16H2,1-2H3;1H
InChIKeyHPZLWIPJCRUMHE-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2930131
methyl 2-benzyl-4-(dimethylamino)butanoate
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2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
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2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
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(2R)-2-benzyl-4-[2-(dimethylamino)ethyl-methylamino]-4-oxobutanoic acid;hydrochloride
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2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane
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2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride
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2-(dimethylamino)ethyl benzoate;hydroiodide
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2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride
CID 117068940
2-(dimethylamino)ethyl (2R)-2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
CID 46224605
(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
CID 97356031

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride (CID 24834682) is 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride is CN(C)CCOC(=O)C(Cc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride?
The InChIKey is HPZLWIPJCRUMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-21(2)13-14-23-20(22)19(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18;/h3-12,19H,13-16H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride?
2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 24834682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).