2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine

C17H23N3O2 — CID 102604355

IUPAC2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine
SMILESCOc1ccc(CC2CN(Cc3cncn3C)CCO2)cc1
InChIInChI=1S/C17H23N3O2/c1-19-13-18-10-15(19)11-20-7-8-22-17(12-20)9-14-3-5-16(21-2)6-4-14/h3-6,10,13,17H,7-9,11-12H2,1-2H3
InChIKeyHZLJFTSPCRLHMC-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.87
Rot. Bonds5

About 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine

2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine (PubChem CID 102604355) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine
PubChem CID102604355
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine
SMILESCOc1ccc(CC2CN(Cc3cncn3C)CCO2)cc1
InChIInChI=1S/C17H23N3O2/c1-19-13-18-10-15(19)11-20-7-8-22-17(12-20)9-14-3-5-16(21-2)6-4-14/h3-6,10,13,17H,7-9,11-12H2,1-2H3
InChIKeyHZLJFTSPCRLHMC-UHFFFAOYSA-N
XLogP1.87
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine (CID 102604355) is 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine is COc1ccc(CC2CN(Cc3cncn3C)CCO2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine?
The InChIKey is HZLJFTSPCRLHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-13-18-10-15(19)11-20-7-8-22-17(12-20)9-14-3-5-16(21-2)6-4-14/h3-6,10,13,17H,7-9,11-12H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine?
2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine has a molecular weight of 301.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]morpholine is sourced from PubChem (CID 102604355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).