3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

C19H21FN2O2 — CID 120607548

IUPAC3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2O2/c20-16-8-5-15(6-9-16)18-13-22(11-12-24-18)19(23)10-7-14-3-1-2-4-17(14)21/h1-6,8-9,18H,7,10-13,21H2
InChIKeyJGONSPUSICKKPL-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.94
Rot. Bonds4

About 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (PubChem CID 120607548) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
PubChem CID120607548
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2O2/c20-16-8-5-15(6-9-16)18-13-22(11-12-24-18)19(23)10-7-14-3-1-2-4-17(14)21/h1-6,8-9,18H,7,10-13,21H2
InChIKeyJGONSPUSICKKPL-UHFFFAOYSA-N
XLogP2.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one
CID 120611548
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
CID 120609994
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
CID 120610994
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
CID 134044332

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (CID 120607548) is 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is Nc1ccccc1CCC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is JGONSPUSICKKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-8-5-15(6-9-16)18-13-22(11-12-24-18)19(23)10-7-14-3-1-2-4-17(14)21/h1-6,8-9,18H,7,10-13,21H2.
What are the key properties of 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 328.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 120607548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).