1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone

C16H24N2O3 — CID 43277297

IUPAC1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
SMILESCCCNCc1ccccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-2-7-17-12-14-5-3-4-6-15(14)21-13-16(19)18-8-10-20-11-9-18/h3-6,17H,2,7-13H2,1H3
InChIKeyTXLNXCBYZLDOJU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.42
Rot. Bonds7

About 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone

1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone (PubChem CID 43277297) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
PubChem CID43277297
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
SMILESCCCNCc1ccccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-2-7-17-12-14-5-3-4-6-15(14)21-13-16(19)18-8-10-20-11-9-18/h3-6,17H,2,7-13H2,1H3
InChIKeyTXLNXCBYZLDOJU-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-fluoro-2-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 107695945
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
CID 115952712
2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119124991
2-[2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119109310
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 47008163
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-(2-ethylphenoxy)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 71901862
2-[2-chloro-6-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 115953102

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone (CID 43277297) is 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone is CCCNCc1ccccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone?
The InChIKey is TXLNXCBYZLDOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-7-17-12-14-5-3-4-6-15(14)21-13-16(19)18-8-10-20-11-9-18/h3-6,17H,2,7-13H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone?
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone is sourced from PubChem (CID 43277297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).