[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol

C15H22BrNO4 — CID 102935974

IUPAC[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
SMILESCOc1cc(CN2CC(C)OC(CO)C2)c(OC)cc1Br
InChIInChI=1S/C15H22BrNO4/c1-10-6-17(8-12(9-18)21-10)7-11-4-15(20-3)13(16)5-14(11)19-2/h4-5,10,12,18H,6-9H2,1-3H3
InChIKeyGNGWSEUSHWKRGS-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.05
Rot. Bonds5

About [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol

[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102935974) has the molecular formula C15H22BrNO4 and a molecular weight of 360.25 g/mol. Its IUPAC name is [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102935974
Molecular FormulaC15H22BrNO4
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
SMILESCOc1cc(CN2CC(C)OC(CO)C2)c(OC)cc1Br
InChIInChI=1S/C15H22BrNO4/c1-10-6-17(8-12(9-18)21-10)7-11-4-15(20-3)13(16)5-14(11)19-2/h4-5,10,12,18H,6-9H2,1-3H3
InChIKeyGNGWSEUSHWKRGS-UHFFFAOYSA-N
XLogP2.05
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672717
1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone
CID 102933623
4-[(3-bromo-4-methoxyphenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936661
[4-[(2-fluoro-4-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935432
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol
CID 62356314
[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102932091
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 43441437
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
CID 755065
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol (CID 102935974) is [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol is COc1cc(CN2CC(C)OC(CO)C2)c(OC)cc1Br.
What is the InChIKey of [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is GNGWSEUSHWKRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4/c1-10-6-17(8-12(9-18)21-10)7-11-4-15(20-3)13(16)5-14(11)19-2/h4-5,10,12,18H,6-9H2,1-3H3.
What are the key properties of [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol?
[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 360.25 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).