4-[(3-bromo-4-methoxyphenyl)methyl]morpholine

C12H16BrNO2 — CID 3142363

IUPAC4-[(3-bromo-4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOCC2)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-15-12-3-2-10(8-11(12)13)9-14-4-6-16-7-5-14/h2-3,8H,4-7,9H2,1H3
InChIKeySTDLMFXLCMQFNS-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.29
Rot. Bonds3

About 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine

4-[(3-bromo-4-methoxyphenyl)methyl]morpholine (PubChem CID 3142363) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-bromo-4-methoxyphenyl)methyl]morpholine
PubChem CID3142363
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-[(3-bromo-4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOCC2)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-15-12-3-2-10(8-11(12)13)9-14-4-6-16-7-5-14/h2-3,8H,4-7,9H2,1H3
InChIKeySTDLMFXLCMQFNS-UHFFFAOYSA-N
XLogP2.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine?
The IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine (CID 3142363) is 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine is COc1ccc(CN2CCOCC2)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine?
The InChIKey is STDLMFXLCMQFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-12-3-2-10(8-11(12)13)9-14-4-6-16-7-5-14/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine?
4-[(3-bromo-4-methoxyphenyl)methyl]morpholine has a molecular weight of 286.17 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 3142363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).