3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one

C15H21ClN2O2 — CID 115713477

IUPAC3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-12(13-3-2-4-14(16)11-13)17-6-5-15(19)18-7-9-20-10-8-18/h2-4,11-12,17H,5-10H2,1H3
InChIKeyVAVZWVORWQZOGP-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.24
Rot. Bonds5

About 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one

3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115713477) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115713477
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-12(13-3-2-4-14(16)11-13)17-6-5-15(19)18-7-9-20-10-8-18/h2-4,11-12,17H,5-10H2,1H3
InChIKeyVAVZWVORWQZOGP-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
CID 9181207
3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 114871820
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455
2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone
CID 167966859
4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]butanoic acid
CID 81372584
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168
2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone
CID 111487350

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one (CID 115713477) is 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one is CC(NCCC(=O)N1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is VAVZWVORWQZOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-12(13-3-2-4-14(16)11-13)17-6-5-15(19)18-7-9-20-10-8-18/h2-4,11-12,17H,5-10H2,1H3.
What are the key properties of 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115713477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).