2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine

C17H19BrN2O3 — CID 68544887

IUPAC2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
SMILESCOc1cccc(C(Oc2ccccc2Br)C2CNCCO2)n1
InChIInChI=1S/C17H19BrN2O3/c1-21-16-8-4-6-13(20-16)17(15-11-19-9-10-22-15)23-14-7-3-2-5-12(14)18/h2-8,15,17,19H,9-11H2,1H3
InChIKeyOUSIYRGASBHABH-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.96
Rot. Bonds5

About 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine

2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine (PubChem CID 68544887) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
PubChem CID68544887
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
SMILESCOc1cccc(C(Oc2ccccc2Br)C2CNCCO2)n1
InChIInChI=1S/C17H19BrN2O3/c1-21-16-8-4-6-13(20-16)17(15-11-19-9-10-22-15)23-14-7-3-2-5-12(14)18/h2-8,15,17,19H,9-11H2,1H3
InChIKeyOUSIYRGASBHABH-UHFFFAOYSA-N
XLogP2.96
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
The IUPAC name of 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine (CID 68544887) is 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine.
What is the SMILES notation for 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
The canonical SMILES for 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine is COc1cccc(C(Oc2ccccc2Br)C2CNCCO2)n1.
What is the InChIKey of 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
The InChIKey is OUSIYRGASBHABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-21-16-8-4-6-13(20-16)17(15-11-19-9-10-22-15)23-14-7-3-2-5-12(14)18/h2-8,15,17,19H,9-11H2,1H3.
What are the key properties of 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine has a molecular weight of 379.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine is sourced from PubChem (CID 68544887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).