3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one

C16H23FN2O2 — CID 114871820

IUPAC3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(NCCC(=O)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-2-15(13-4-3-5-14(17)12-13)18-7-6-16(20)19-8-10-21-11-9-19/h3-5,12,15,18H,2,6-11H2,1H3
InChIKeyBFTXRMMVSNQWTP-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.12
Rot. Bonds6

About 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one

3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 114871820) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID114871820
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(NCCC(=O)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-2-15(13-4-3-5-14(17)12-13)18-7-6-16(20)19-8-10-21-11-9-19/h3-5,12,15,18H,2,6-11H2,1H3
InChIKeyBFTXRMMVSNQWTP-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497
4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
CID 114871723
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
3-[[(S)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 99777414
3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 91648000
3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115970369
3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 99822392
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
CID 79109647
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one (CID 114871820) is 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one is CCC(NCCC(=O)N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BFTXRMMVSNQWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-15(13-4-3-5-14(17)12-13)18-7-6-16(20)19-8-10-21-11-9-19/h3-5,12,15,18H,2,6-11H2,1H3.
What are the key properties of 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 114871820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).