Skip to content

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

C24H32ClNO3 — CID 138397138

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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

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

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.