2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone

C14H19BrN2O3 — CID 63045841

IUPAC2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCNCc1ccc(OCC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-16-9-11-2-3-13(12(15)8-11)20-10-14(18)17-4-6-19-7-5-17/h2-3,8,16H,4-7,9-10H2,1H3
InChIKeyFKPXHYPTQLIGSA-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone

2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 63045841) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID63045841
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCNCc1ccc(OCC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-16-9-11-2-3-13(12(15)8-11)20-10-14(18)17-4-6-19-7-5-17/h2-3,8,16H,4-7,9-10H2,1H3
InChIKeyFKPXHYPTQLIGSA-UHFFFAOYSA-N
XLogP1.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
CID 2202684
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
1-(azepan-1-yl)-2-(2-bromo-4-propylphenoxy)ethanone
CID 19201423
2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone
CID 107655594
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179321
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone (CID 63045841) is 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone is CNCc1ccc(OCC(=O)N2CCOCC2)c(Br)c1.
What is the InChIKey of 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is FKPXHYPTQLIGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-16-9-11-2-3-13(12(15)8-11)20-10-14(18)17-4-6-19-7-5-17/h2-3,8,16H,4-7,9-10H2,1H3.
What are the key properties of 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 343.22 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 63045841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).