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

C16H23FN2O2 — CID 115713460

IUPAC3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(C)NCCC(=O)N2CCOCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-12-3-4-14(11-15(12)17)13(2)18-6-5-16(20)19-7-9-21-10-8-19/h3-4,11,13,18H,5-10H2,1-2H3
InChIKeyTVAPHOREYZUBEB-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.03
Rot. Bonds5

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

3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115713460) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115713460
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(C)NCCC(=O)N2CCOCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-12-3-4-14(11-15(12)17)13(2)18-6-5-16(20)19-7-9-21-10-8-19/h3-4,11,13,18H,5-10H2,1-2H3
InChIKeyTVAPHOREYZUBEB-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97050710
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 114871820
2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol
CID 29038908
3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 99822392
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 94815844
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one (CID 115713460) is 3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one is Cc1ccc(C(C)NCCC(=O)N2CCOCC2)cc1F.
What is the InChIKey of 3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is TVAPHOREYZUBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-3-4-14(11-15(12)17)13(2)18-6-5-16(20)19-7-9-21-10-8-19/h3-4,11,13,18H,5-10H2,1-2H3.
What are the key properties of 3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115713460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).