ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride

C24H31Cl2NO4 — CID 67822773

IUPACethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)Oc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl
InChIInChI=1S/C24H30ClNO4.ClH/c1-4-29-23(28)24(2,3)30-21-11-9-16-8-10-20(13-18(16)14-21)26-15-22(27)17-6-5-7-19(25)12-17;/h5-7,9,11-12,14,20,22,26-27H,4,8,10,13,15H2,1-3H3;1H/t20-,22-;/m0./s1
InChIKeyQNAUUCMHNMBMFF-DTRWSJPISA-N
MW468.42 g/mol
LogP4.66
Rot. Bonds8

About ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride

ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride (PubChem CID 67822773) has the molecular formula C24H31Cl2NO4 and a molecular weight of 468.42 g/mol. Its IUPAC name is ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride
PubChem CID67822773
Molecular FormulaC24H31Cl2NO4
Molecular Weight468.42 g/mol
Exact Mass467.16
IUPAC Nameethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)Oc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl
InChIInChI=1S/C24H30ClNO4.ClH/c1-4-29-23(28)24(2,3)30-21-11-9-16-8-10-20(13-18(16)14-21)26-15-22(27)17-6-5-7-19(25)12-17;/h5-7,9,11-12,14,20,22,26-27H,4,8,10,13,15H2,1-3H3;1H/t20-,22-;/m0./s1
InChIKeyQNAUUCMHNMBMFF-DTRWSJPISA-N
XLogP4.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;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

1-(3-chlorophenyl)-2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanol
CID 67832460
ethyl 7-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 45264302
ethyl 2-[[(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate;hydrate;hydrochloride
CID 140564576
ethyl 2-[[7-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
CID 77336353
methyl 2-[[(7R)-7-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 67746884
5-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylbenzoic acid;hydrochloride
CID 24950054
ethyl 2-[[6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl]oxy]acetate
CID 67685575
ethyl 3-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
CID 67781787
[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl] butaneperoxoate
CID 90800070
diethyl 2-[[(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]propanedioate;oxalic acid
CID 18658901
3-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-5-(propylamino)benzoic acid;dihydrochloride
CID 24950233
(1R)-2-[(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(3-chlorophenyl)ethanol;dihydrochloride
CID 67685662

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride?
The IUPAC name of ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride (CID 67822773) is ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride is CCOC(=O)C(C)(C)Oc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl.
What is the InChIKey of ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride?
The InChIKey is QNAUUCMHNMBMFF-DTRWSJPISA-N. The full InChI is InChI=1S/C24H30ClNO4.ClH/c1-4-29-23(28)24(2,3)30-21-11-9-16-8-10-20(13-18(16)14-21)26-15-22(27)17-6-5-7-19(25)12-17;/h5-7,9,11-12,14,20,22,26-27H,4,8,10,13,15H2,1-3H3;1H/t20-,22-;/m0./s1.
What are the key properties of ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride?
ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride has a molecular weight of 468.42 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 67822773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).