4-[(3-phenoxyphenyl)methyl]morpholine

C17H19NO2 — CID 782615

IUPAC4-[(3-phenoxyphenyl)methyl]morpholine
SMILESc1ccc(Oc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C17H19NO2/c1-2-6-16(7-3-1)20-17-8-4-5-15(13-17)14-18-9-11-19-12-10-18/h1-8,13H,9-12,14H2
InChIKeyXWVYLNBXTARSIK-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.31
Rot. Bonds4

About 4-[(3-phenoxyphenyl)methyl]morpholine

4-[(3-phenoxyphenyl)methyl]morpholine (PubChem CID 782615) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(3-phenoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-phenoxyphenyl)methyl]morpholine
PubChem CID782615
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-[(3-phenoxyphenyl)methyl]morpholine
SMILESc1ccc(Oc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C17H19NO2/c1-2-6-16(7-3-1)20-17-8-4-5-15(13-17)14-18-9-11-19-12-10-18/h1-8,13H,9-12,14H2
InChIKeyXWVYLNBXTARSIK-UHFFFAOYSA-N
XLogP3.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8478
Phenoxybenzamine
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Benproperine
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Fomocaine
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Benzethonium
CID 2335
1-Benzyl-4-chroman-2-ylmethyl-piperazine
CID 10758200
S1R agonist 1
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CID 11688990
1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine
CID 44396220

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenoxyphenyl)methyl]morpholine?
The IUPAC name of 4-[(3-phenoxyphenyl)methyl]morpholine (CID 782615) is 4-[(3-phenoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3-phenoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-[(3-phenoxyphenyl)methyl]morpholine is c1ccc(Oc2cccc(CN3CCOCC3)c2)cc1.
What is the InChIKey of 4-[(3-phenoxyphenyl)methyl]morpholine?
The InChIKey is XWVYLNBXTARSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-6-16(7-3-1)20-17-8-4-5-15(13-17)14-18-9-11-19-12-10-18/h1-8,13H,9-12,14H2.
What are the key properties of 4-[(3-phenoxyphenyl)methyl]morpholine?
4-[(3-phenoxyphenyl)methyl]morpholine has a molecular weight of 269.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenoxyphenyl)methyl]morpholine is sourced from PubChem (CID 782615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).