2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride

C20H26ClNO2 — CID 117068940

IUPAC2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride
SMILESCCC(C(=O)OCCN(C)C)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-4-19(20(22)23-15-14-21(2)3)18-12-10-17(11-13-18)16-8-6-5-7-9-16;/h5-13,19H,4,14-15H2,1-3H3;1H
InChIKeyNRIFZVHUMZGITD-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.37
Rot. Bonds7

About 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride

2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride (PubChem CID 117068940) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride
PubChem CID117068940
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride
SMILESCCC(C(=O)OCCN(C)C)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-4-19(20(22)23-15-14-21(2)3)18-12-10-17(11-13-18)16-8-6-5-7-9-16;/h5-13,19H,4,14-15H2,1-3H3;1H
InChIKeyNRIFZVHUMZGITD-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
(2S)-2-(4-phenylphenyl)butanoate
CID 86294889
benzyl 2-[4-(3-chlorophenyl)phenyl]butanoate;hydrochloride
CID 141436157
2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
CID 24834682
nonyl 2-phenylbutanoate
CID 91710335
hexyl (2R)-2-phenylbutanoate
CID 10729236
aminomethyl 2-phenylbutanoate
CID 175260963
ethyl 2-phenylbutanoate;sulfane
CID 174662373
amino 2-phenylbutanoate
CID 21430295
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
2-methylbutyl 2-phenylbutanoate
CID 129279414

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride (CID 117068940) is 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride is CCC(C(=O)OCCN(C)C)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride?
The InChIKey is NRIFZVHUMZGITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-4-19(20(22)23-15-14-21(2)3)18-12-10-17(11-13-18)16-8-6-5-7-9-16;/h5-13,19H,4,14-15H2,1-3H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride?
2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride is sourced from PubChem (CID 117068940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).