(2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine

C14H17N3O2 — CID 171653490

IUPAC(2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine
SMILESCn1cnc(Oc2cccc([C@@H]3CNCCO3)c2)c1
InChIInChI=1S/C14H17N3O2/c1-17-9-14(16-10-17)19-12-4-2-3-11(7-12)13-8-15-5-6-18-13/h2-4,7,9-10,13,15H,5-6,8H2,1H3/t13-/m0/s1
InChIKeyQKZPLBONOHFSHO-ZDUSSCGKSA-N
MW259.31 g/mol
LogP1.87
Rot. Bonds3

About (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine

(2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine (PubChem CID 171653490) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine
PubChem CID171653490
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine
SMILESCn1cnc(Oc2cccc([C@@H]3CNCCO3)c2)c1
InChIInChI=1S/C14H17N3O2/c1-17-9-14(16-10-17)19-12-4-2-3-11(7-12)13-8-15-5-6-18-13/h2-4,7,9-10,13,15H,5-6,8H2,1H3/t13-/m0/s1
InChIKeyQKZPLBONOHFSHO-ZDUSSCGKSA-N
XLogP1.87
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-pyrimidin-4-yloxyphenyl)morpholine
CID 171653353
(2R)-2-(3-pyridin-4-yloxyphenyl)morpholine
CID 171653433
(2R)-2-(3-pyrimidin-5-yloxyphenyl)morpholine
CID 171653449
2-[3-(3-methoxyphenyl)phenyl]morpholine
CID 82092915
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
(2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine
CID 171653436
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
(2S)-2-(3-methyl-5-pyridazin-3-yloxyphenyl)morpholine
CID 174291013
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
CID 117436588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine?
The IUPAC name of (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine (CID 171653490) is (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine.
What is the SMILES notation for (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine?
The canonical SMILES for (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine is Cn1cnc(Oc2cccc([C@@H]3CNCCO3)c2)c1.
What is the InChIKey of (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine?
The InChIKey is QKZPLBONOHFSHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-9-14(16-10-17)19-12-4-2-3-11(7-12)13-8-15-5-6-18-13/h2-4,7,9-10,13,15H,5-6,8H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine?
(2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine is sourced from PubChem (CID 171653490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).