1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine

C18H22FN3O — CID 169385039

IUPAC1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine
SMILESFc1ccc(CNNc2ccccc2)c(CN2CCOCC2)c1
InChIInChI=1S/C18H22FN3O/c19-17-7-6-15(13-20-21-18-4-2-1-3-5-18)16(12-17)14-22-8-10-23-11-9-22/h1-7,12,20-21H,8-11,13-14H2
InChIKeyKVQBQBZAXVTOLK-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.77
Rot. Bonds6

About 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine

1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine (PubChem CID 169385039) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine
PubChem CID169385039
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine
SMILESFc1ccc(CNNc2ccccc2)c(CN2CCOCC2)c1
InChIInChI=1S/C18H22FN3O/c19-17-7-6-15(13-20-21-18-4-2-1-3-5-18)16(12-17)14-22-8-10-23-11-9-22/h1-7,12,20-21H,8-11,13-14H2
InChIKeyKVQBQBZAXVTOLK-UHFFFAOYSA-N
XLogP2.77
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
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 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine (CID 169385039) is 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine is Fc1ccc(CNNc2ccccc2)c(CN2CCOCC2)c1.
What is the InChIKey of 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine?
The InChIKey is KVQBQBZAXVTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-17-7-6-15(13-20-21-18-4-2-1-3-5-18)16(12-17)14-22-8-10-23-11-9-22/h1-7,12,20-21H,8-11,13-14H2.
What are the key properties of 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine?
1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine has a molecular weight of 315.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).