2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol

C13H18BrNO2 — CID 82976620

IUPAC2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
SMILESCCC1CN(Cc2ccc(O)c(Br)c2)CCO1
InChIInChI=1S/C13H18BrNO2/c1-2-11-9-15(5-6-17-11)8-10-3-4-13(16)12(14)7-10/h3-4,7,11,16H,2,5-6,8-9H2,1H3
InChIKeyHBFPYSSEOMEXKY-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.77
Rot. Bonds3

About 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol

2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol (PubChem CID 82976620) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
PubChem CID82976620
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
SMILESCCC1CN(Cc2ccc(O)c(Br)c2)CCO1
InChIInChI=1S/C13H18BrNO2/c1-2-11-9-15(5-6-17-11)8-10-3-4-13(16)12(14)7-10/h3-4,7,11,16H,2,5-6,8-9H2,1H3
InChIKeyHBFPYSSEOMEXKY-UHFFFAOYSA-N
XLogP2.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
2-amino-4-[(2-ethyl-1,4-oxazepan-4-yl)methyl]phenol
CID 114218284
[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79833294
2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
CID 82985669
2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 115280835
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
CID 112553400
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182229
4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 63882475
4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
CID 81214018
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol (CID 82976620) is 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol is CCC1CN(Cc2ccc(O)c(Br)c2)CCO1.
What is the InChIKey of 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol?
The InChIKey is HBFPYSSEOMEXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-11-9-15(5-6-17-11)8-10-3-4-13(16)12(14)7-10/h3-4,7,11,16H,2,5-6,8-9H2,1H3.
What are the key properties of 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol?
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol has a molecular weight of 300.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 82976620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).