(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine

C24H23Cl2NO2 — CID 68597691

IUPAC(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine
SMILESClc1ccc(O[C@H](c2ccccc2)[C@@H]2CN(Cc3ccccc3)CCO2)c(Cl)c1
InChIInChI=1S/C24H23Cl2NO2/c25-20-11-12-22(21(26)15-20)29-24(19-9-5-2-6-10-19)23-17-27(13-14-28-23)16-18-7-3-1-4-8-18/h1-12,15,23-24H,13-14,16-17H2/t23-,24+/m0/s1
InChIKeyJDXQROHYCKJMQZ-BJKOFHAPSA-N
MW428.36 g/mol
LogP6.01
Rot. Bonds6

About (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine

(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine (PubChem CID 68597691) has the molecular formula C24H23Cl2NO2 and a molecular weight of 428.36 g/mol. Its IUPAC name is (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine
PubChem CID68597691
Molecular FormulaC24H23Cl2NO2
Molecular Weight428.36 g/mol
Exact Mass427.11
IUPAC Name(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine
SMILESClc1ccc(O[C@H](c2ccccc2)[C@@H]2CN(Cc3ccccc3)CCO2)c(Cl)c1
InChIInChI=1S/C24H23Cl2NO2/c25-20-11-12-22(21(26)15-20)29-24(19-9-5-2-6-10-19)23-17-27(13-14-28-23)16-18-7-3-1-4-8-18/h1-12,15,23-24H,13-14,16-17H2/t23-,24+/m0/s1
InChIKeyJDXQROHYCKJMQZ-BJKOFHAPSA-N
XLogP6.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine 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

(2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine
CID 69434313
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973
CID 89203711
CID 89203711
(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
(2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine
CID 70335932
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2S)-2-[(R)-(4-chloro-2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 68597009
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
[(2R)-4-benzylmorpholin-2-yl]-(2-fluorophenyl)methanol
CID 69432470
1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one
CID 22376328

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine (CID 68597691) is (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine is Clc1ccc(O[C@H](c2ccccc2)[C@@H]2CN(Cc3ccccc3)CCO2)c(Cl)c1.
What is the InChIKey of (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine?
The InChIKey is JDXQROHYCKJMQZ-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H23Cl2NO2/c25-20-11-12-22(21(26)15-20)29-24(19-9-5-2-6-10-19)23-17-27(13-14-28-23)16-18-7-3-1-4-8-18/h1-12,15,23-24H,13-14,16-17H2/t23-,24+/m0/s1.
What are the key properties of (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine?
(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine has a molecular weight of 428.36 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 68597691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).