1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine

C23H21FN2 — CID 126076822

IUPAC1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine
SMILESFc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1
InChIInChI=1S/C23H21FN2/c24-22-16-18(8-13-23(22)26-14-4-5-15-26)17-25-21-11-9-20(10-12-21)19-6-2-1-3-7-19/h1-3,6-13,16-17H,4-5,14-15H2/b25-17+
InChIKeyXSMGZEKGXBCOHV-KOEQRZSOSA-N
MW344.43 g/mol
LogP5.84
Rot. Bonds4

About 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine

1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine (PubChem CID 126076822) has the molecular formula C23H21FN2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine
PubChem CID126076822
Molecular FormulaC23H21FN2
Molecular Weight344.43 g/mol
Exact Mass344.17
IUPAC Name1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine
SMILESFc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1
InChIInChI=1S/C23H21FN2/c24-22-16-18(8-13-23(22)26-14-4-5-15-26)17-25-21-11-9-20(10-12-21)19-6-2-1-3-7-19/h1-3,6-13,16-17H,4-5,14-15H2/b25-17+
InChIKeyXSMGZEKGXBCOHV-KOEQRZSOSA-N
XLogP5.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.43
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine?
The IUPAC name of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine (CID 126076822) is 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine.
What is the SMILES notation for 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine?
The canonical SMILES for 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine is Fc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1.
What is the InChIKey of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine?
The InChIKey is XSMGZEKGXBCOHV-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H21FN2/c24-22-16-18(8-13-23(22)26-14-4-5-15-26)17-25-21-11-9-20(10-12-21)19-6-2-1-3-7-19/h1-3,6-13,16-17H,4-5,14-15H2/b25-17+.
What are the key properties of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine?
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine has a molecular weight of 344.43 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine is sourced from PubChem (CID 126076822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).