3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline

C17H19FN2O2 — CID 22015903

IUPAC3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline
SMILESFc1cccc(NOCc2ccccc2)c1N1CCOCC1
InChIInChI=1S/C17H19FN2O2/c18-15-7-4-8-16(17(15)20-9-11-21-12-10-20)19-22-13-14-5-2-1-3-6-14/h1-8,19H,9-13H2
InChIKeyJUAAOZFEASUQAG-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.21
Rot. Bonds5

About 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline

3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline (PubChem CID 22015903) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline.

Molecular Properties

Compound Name3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline
PubChem CID22015903
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline
SMILESFc1cccc(NOCc2ccccc2)c1N1CCOCC1
InChIInChI=1S/C17H19FN2O2/c18-15-7-4-8-16(17(15)20-9-11-21-12-10-20)19-22-13-14-5-2-1-3-6-14/h1-8,19H,9-13H2
InChIKeyJUAAOZFEASUQAG-UHFFFAOYSA-N
XLogP3.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline?
The IUPAC name of 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline (CID 22015903) is 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline.
What is the SMILES notation for 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline?
The canonical SMILES for 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline is Fc1cccc(NOCc2ccccc2)c1N1CCOCC1.
What is the InChIKey of 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline?
The InChIKey is JUAAOZFEASUQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-15-7-4-8-16(17(15)20-9-11-21-12-10-20)19-22-13-14-5-2-1-3-6-14/h1-8,19H,9-13H2.
What are the key properties of 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline?
3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline has a molecular weight of 302.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-morpholin-4-yl-N-phenylmethoxyaniline is sourced from PubChem (CID 22015903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).