N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline

C17H19FN2O — CID 834706

IUPACN-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline
SMILESFc1ccccc1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19FN2O/c18-17-4-2-1-3-14(17)13-19-15-5-7-16(8-6-15)20-9-11-21-12-10-20/h1-8,19H,9-13H2
InChIKeyYYQWBFWCTXLOEJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.27
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline

N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline (PubChem CID 834706) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline
PubChem CID834706
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline
SMILESFc1ccccc1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19FN2O/c18-17-4-2-1-3-14(17)13-19-15-5-7-16(8-6-15)20-9-11-21-12-10-20/h1-8,19H,9-13H2
InChIKeyYYQWBFWCTXLOEJ-UHFFFAOYSA-N
XLogP3.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline (CID 834706) is N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline is Fc1ccccc1CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is YYQWBFWCTXLOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-17-4-2-1-3-14(17)13-19-15-5-7-16(8-6-15)20-9-11-21-12-10-20/h1-8,19H,9-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline?
N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 286.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 834706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).