2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone

C15H21BrN2O3 — CID 60907715

IUPAC2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone
SMILESCC(N)Cc1cc(Br)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H21BrN2O3/c1-11(17)8-12-9-13(16)2-3-14(12)21-10-15(19)18-4-6-20-7-5-18/h2-3,9,11H,4-8,10,17H2,1H3
InChIKeyWXTWAHGGLAPCEJ-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.58
Rot. Bonds5

About 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone

2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone (PubChem CID 60907715) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone
PubChem CID60907715
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone
SMILESCC(N)Cc1cc(Br)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H21BrN2O3/c1-11(17)8-12-9-13(16)2-3-14(12)21-10-15(19)18-4-6-20-7-5-18/h2-3,9,11H,4-8,10,17H2,1H3
InChIKeyWXTWAHGGLAPCEJ-UHFFFAOYSA-N
XLogP1.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-1-morpholin-4-ylethanone
CID 79164661
1-(azepan-1-yl)-2-[4-bromo-2-(methylaminomethyl)phenoxy]ethanone
CID 43277454
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907716
2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
CID 2202684
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone
CID 63368114
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
CID 170894305
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone (CID 60907715) is 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone is CC(N)Cc1cc(Br)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone?
The InChIKey is WXTWAHGGLAPCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-11(17)8-12-9-13(16)2-3-14(12)21-10-15(19)18-4-6-20-7-5-18/h2-3,9,11H,4-8,10,17H2,1H3.
What are the key properties of 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone?
2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone has a molecular weight of 357.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 60907715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).