2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride

C24H32ClNO3 — CID 138397138

IUPAC2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C24H31NO3.ClH/c1-3-25(4-2)16-17-28-23(26)24(27,21-12-6-5-7-13-21)22-15-14-19-10-8-9-11-20(19)18-22;/h5-7,12-15,18,27H,3-4,8-11,16-17H2,1-2H3;1H
InChIKeyLSPWAKBFGFSZDB-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.11
Rot. Bonds8

About 2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride

2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride (PubChem CID 138397138) has the molecular formula C24H32ClNO3 and a molecular weight of 417.98 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
PubChem CID138397138
Molecular FormulaC24H32ClNO3
Molecular Weight417.98 g/mol
Exact Mass417.21
IUPAC Name2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C24H31NO3.ClH/c1-3-25(4-2)16-17-28-23(26)24(27,21-12-6-5-7-13-21)22-15-14-19-10-8-9-11-20(19)18-22;/h5-7,12-15,18,27H,3-4,8-11,16-17H2,1-2H3;1H
InChIKeyLSPWAKBFGFSZDB-UHFFFAOYSA-N
XLogP4.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
CID 24840421
2-(diethylamino)ethyl 2-hydroxy-2-(2-methylsulfanylphenyl)-2-phenylacetate
CID 117067116
2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
CID 6453495
2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
CID 20833921
2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
CID 10406675
cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol
CID 143910685
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
CID 4841
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-(4-methylpiperazin-1-yl)ethyl 2-(3-chlorophenyl)-2-hydroxy-2-phenylacetate;dihydrochloride
CID 134123095

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride (CID 138397138) is 2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride is CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccc2c(c1)CCCC2.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
The InChIKey is LSPWAKBFGFSZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3.ClH/c1-3-25(4-2)16-17-28-23(26)24(27,21-12-6-5-7-13-21)22-15-14-19-10-8-9-11-20(19)18-22;/h5-7,12-15,18,27H,3-4,8-11,16-17H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 4.11, 8 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-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride is sourced from PubChem (CID 138397138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).