(2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride

C23H26Cl2N2O — CID 162310619

IUPAC(2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc([C@@H](Cc2ccccc2-c2cccnc2)[C@H]2CNCCO2)cc1
InChIInChI=1S/C23H24N2O.2ClH/c1-2-7-18(8-3-1)22(23-17-25-13-14-26-23)15-19-9-4-5-11-21(19)20-10-6-12-24-16-20;;/h1-12,16,22-23,25H,13-15,17H2;2*1H/t22-,23-;;/m1../s1
InChIKeyCTGURSPYGNEMHZ-TVLOEWINSA-N
MW417.38 g/mol
LogP4.91
Rot. Bonds5

About (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride

(2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride (PubChem CID 162310619) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride
PubChem CID162310619
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC Name(2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc([C@@H](Cc2ccccc2-c2cccnc2)[C@H]2CNCCO2)cc1
InChIInChI=1S/C23H24N2O.2ClH/c1-2-7-18(8-3-1)22(23-17-25-13-14-26-23)15-19-9-4-5-11-21(19)20-10-6-12-24-16-20;;/h1-12,16,22-23,25H,13-15,17H2;2*1H/t22-,23-;;/m1../s1
InChIKeyCTGURSPYGNEMHZ-TVLOEWINSA-N
XLogP4.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine
CID 68901582
2-[(2-pyridin-3-ylphenyl)methyl]morpholine
CID 173109639
2-[2-(2-phenoxyphenyl)-1-phenylethyl]morpholine
CID 68903551
2-(1-phenylpropyl)morpholine
CID 70531832
(R)-morpholin-2-yl(phenyl)methanol
CID 69108289
2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine
CID 76566166
(2R)-2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 59166891
2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 11616643
4-methyl-2-morpholin-2-yl-5-(2-phenylphenyl)pentan-2-ol
CID 69123202
3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497165
1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone
CID 22248581
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride?
The IUPAC name of (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride (CID 162310619) is (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride.
What is the SMILES notation for (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride?
The canonical SMILES for (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride is Cl.Cl.c1ccc([C@@H](Cc2ccccc2-c2cccnc2)[C@H]2CNCCO2)cc1.
What is the InChIKey of (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride?
The InChIKey is CTGURSPYGNEMHZ-TVLOEWINSA-N. The full InChI is InChI=1S/C23H24N2O.2ClH/c1-2-7-18(8-3-1)22(23-17-25-13-14-26-23)15-19-9-4-5-11-21(19)20-10-6-12-24-16-20;;/h1-12,16,22-23,25H,13-15,17H2;2*1H/t22-,23-;;/m1../s1.
What are the key properties of (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride?
(2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-phenyl-2-(2-pyridin-3-ylphenyl)ethyl]morpholine;dihydrochloride is sourced from PubChem (CID 162310619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).