1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine

C21H19FN2O — CID 126145909

IUPAC1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
SMILESFc1cc(/C=N/c2ccc3ccccc3c2)ccc1N1CCOCC1
InChIInChI=1S/C21H19FN2O/c22-20-13-16(5-8-21(20)24-9-11-25-12-10-24)15-23-19-7-6-17-3-1-2-4-18(17)14-19/h1-8,13-15H,9-12H2/b23-15+
InChIKeyBMUSFGUELLZTRU-HZHRSRAPSA-N
MW334.39 g/mol
LogP4.57
Rot. Bonds3

About 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine

1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine (PubChem CID 126145909) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine.

Molecular Properties

Compound Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
PubChem CID126145909
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
SMILESFc1cc(/C=N/c2ccc3ccccc3c2)ccc1N1CCOCC1
InChIInChI=1S/C21H19FN2O/c22-20-13-16(5-8-21(20)24-9-11-25-12-10-24)15-23-19-7-6-17-3-1-2-4-18(17)14-19/h1-8,13-15H,9-12H2/b23-15+
InChIKeyBMUSFGUELLZTRU-HZHRSRAPSA-N
XLogP4.57
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine?
The IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine (CID 126145909) is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine.
What is the SMILES notation for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine?
The canonical SMILES for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine is Fc1cc(/C=N/c2ccc3ccccc3c2)ccc1N1CCOCC1.
What is the InChIKey of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine?
The InChIKey is BMUSFGUELLZTRU-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H19FN2O/c22-20-13-16(5-8-21(20)24-9-11-25-12-10-24)15-23-19-7-6-17-3-1-2-4-18(17)14-19/h1-8,13-15H,9-12H2/b23-15+.
What are the key properties of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine?
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine has a molecular weight of 334.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine is sourced from PubChem (CID 126145909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).