2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one

C17H25FN2O2 — CID 84588764

IUPAC2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one
SMILESCCC(NC(CC)c1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H25FN2O2/c1-3-15(13-5-7-14(18)8-6-13)19-16(4-2)17(21)20-9-11-22-12-10-20/h5-8,15-16,19H,3-4,9-12H2,1-2H3
InChIKeyQHBQOKDTIMLPLF-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.50
Rot. Bonds6

About 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one

2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one (PubChem CID 84588764) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one
PubChem CID84588764
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one
SMILESCCC(NC(CC)c1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H25FN2O2/c1-3-15(13-5-7-14(18)8-6-13)19-16(4-2)17(21)20-9-11-22-12-10-20/h5-8,15-16,19H,3-4,9-12H2,1-2H3
InChIKeyQHBQOKDTIMLPLF-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide
CID 110353983
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
CID 174790333
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195499
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 126447223
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
CID 86904501
4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115889708
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one (CID 84588764) is 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one is CCC(NC(CC)c1ccc(F)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is QHBQOKDTIMLPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-3-15(13-5-7-14(18)8-6-13)19-16(4-2)17(21)20-9-11-22-12-10-20/h5-8,15-16,19H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one?
2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 308.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 84588764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).