2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol

C13H18BrNO2 — CID 82977068

IUPAC2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2ccc(O)c(Br)c2)C(C)CO1
InChIInChI=1S/C13H18BrNO2/c1-9-8-17-10(2)6-15(9)7-11-3-4-13(16)12(14)5-11/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyODOJIZAVAYUMOP-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.76
Rot. Bonds2

About 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol

2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol (PubChem CID 82977068) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol
PubChem CID82977068
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2ccc(O)c(Br)c2)C(C)CO1
InChIInChI=1S/C13H18BrNO2/c1-9-8-17-10(2)6-15(9)7-11-3-4-13(16)12(14)5-11/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyODOJIZAVAYUMOP-UHFFFAOYSA-N
XLogP2.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 102769702
4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline
CID 55159075
N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine
CID 102769704
5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339637
1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone
CID 43788364
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340989
methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate
CID 134007278
4-[(2,5-dimethylmorpholin-4-yl)methyl]-N-methylpyridin-2-amine
CID 62472249
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348845
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
2,5-dimethyl-4-[(2-methylphenyl)methyl]morpholine
CID 75808664

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol (CID 82977068) is 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol is CC1CN(Cc2ccc(O)c(Br)c2)C(C)CO1.
What is the InChIKey of 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol?
The InChIKey is ODOJIZAVAYUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9-8-17-10(2)6-15(9)7-11-3-4-13(16)12(14)5-11/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol?
2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol has a molecular weight of 300.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 82977068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).