4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol

C13H18BrNO2 — CID 82976791

IUPAC4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1(C)CN(Cc2cc(O)ccc2Br)CCO1
InChIInChI=1S/C13H18BrNO2/c1-13(2)9-15(5-6-17-13)8-10-7-11(16)3-4-12(10)14/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyCSYFARDLTVRFCY-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.77
Rot. Bonds2

About 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol

4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol (PubChem CID 82976791) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
PubChem CID82976791
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1(C)CN(Cc2cc(O)ccc2Br)CCO1
InChIInChI=1S/C13H18BrNO2/c1-13(2)9-15(5-6-17-13)8-10-7-11(16)3-4-12(10)14/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyCSYFARDLTVRFCY-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-4-bromophenol
CID 120781772
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 103947549
4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol
CID 82977781
2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 115557043
N-[[3-bromo-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 102769860
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82977089
[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]boronic acid
CID 54970678
2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
CID 55649204
2-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 114048476
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine
CID 86993054
4-bromo-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982008

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol (CID 82976791) is 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol is CC1(C)CN(Cc2cc(O)ccc2Br)CCO1.
What is the InChIKey of 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol?
The InChIKey is CSYFARDLTVRFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-13(2)9-15(5-6-17-13)8-10-7-11(16)3-4-12(10)14/h3-4,7,16H,5-6,8-9H2,1-2H3.
What are the key properties of 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol?
4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol has a molecular weight of 300.20 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 82976791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).