(2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine

C16H18ClN3O2 — CID 95551475

IUPAC(2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(C[C@H]2CN(c3ccc(Cl)nn3)CCO2)c1
InChIInChI=1S/C16H18ClN3O2/c1-21-13-4-2-3-12(9-13)10-14-11-20(7-8-22-14)16-6-5-15(17)18-19-16/h2-6,9,14H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyAMJVNJKPMJCLBD-AWEZNQCLSA-N
MW319.79 g/mol
LogP2.59
Rot. Bonds4

About (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine

(2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine (PubChem CID 95551475) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine
PubChem CID95551475
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(C[C@H]2CN(c3ccc(Cl)nn3)CCO2)c1
InChIInChI=1S/C16H18ClN3O2/c1-21-13-4-2-3-12(9-13)10-14-11-20(7-8-22-14)16-6-5-15(17)18-19-16/h2-6,9,14H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyAMJVNJKPMJCLBD-AWEZNQCLSA-N
XLogP2.59
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine
CID 45197477
(2R)-4-cyclohexyl-2-[(3-methoxyphenyl)methyl]morpholine
CID 25376241
2-[4-(6-chloropyridazin-3-yl)morpholin-2-yl]ethanol
CID 19983176
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 26322636
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine?
The IUPAC name of (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine (CID 95551475) is (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine?
The canonical SMILES for (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine is COc1cccc(C[C@H]2CN(c3ccc(Cl)nn3)CCO2)c1.
What is the InChIKey of (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine?
The InChIKey is AMJVNJKPMJCLBD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-21-13-4-2-3-12(9-13)10-14-11-20(7-8-22-14)16-6-5-15(17)18-19-16/h2-6,9,14H,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine?
(2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine has a molecular weight of 319.79 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-chloropyridazin-3-yl)-2-[(3-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 95551475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).