4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine

C13H18BrNO2 — CID 60705276

IUPAC4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
SMILESCOc1ccc(CN2CCOC(C)C2)cc1Br
InChIInChI=1S/C13H18BrNO2/c1-10-8-15(5-6-17-10)9-11-3-4-13(16-2)12(14)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyUPMKAYOKLIPWJR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.68
Rot. Bonds3

About 4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine

4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine (PubChem CID 60705276) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
PubChem CID60705276
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
SMILESCOc1ccc(CN2CCOC(C)C2)cc1Br
InChIInChI=1S/C13H18BrNO2/c1-10-8-15(5-6-17-10)9-11-3-4-13(16-2)12(14)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyUPMKAYOKLIPWJR-UHFFFAOYSA-N
XLogP2.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
2-methoxy-5-[(2-methylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 65339348
4-[(3-bromo-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 78946188
4-[(3-bromo-4-methoxyphenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680600
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
4-[(3-bromo-4-methoxyphenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936661
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
1-[(3-bromo-4-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 64859030
N'-hydroxy-2-methoxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 106789290

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine?
The IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine (CID 60705276) is 4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine?
The canonical SMILES for 4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine is COc1ccc(CN2CCOC(C)C2)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine?
The InChIKey is UPMKAYOKLIPWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-10-8-15(5-6-17-10)9-11-3-4-13(16-2)12(14)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine?
4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine has a molecular weight of 300.20 g/mol, XLogP of 2.68, 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]-2-methylmorpholine is sourced from PubChem (CID 60705276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).