(2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine

C20H16FN — CID 135007703

IUPAC(2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)c1c(F)cccc1-c1ccccc1
InChIInChI=1S/C20H16FN/c1-14-10-12-16(13-11-14)20(22)19-17(8-5-9-18(19)21)15-6-3-2-4-7-15/h2-13,22H,1H3/b22-20+
InChIKeyLMZXSSHYCWTFKV-LSDHQDQOSA-N
MW289.35 g/mol
LogP5.22
Rot. Bonds3

About (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine

(2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine (PubChem CID 135007703) has the molecular formula C20H16FN and a molecular weight of 289.35 g/mol. Its IUPAC name is (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name(2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine
PubChem CID135007703
Molecular FormulaC20H16FN
Molecular Weight289.35 g/mol
Exact Mass289.13
IUPAC Name(2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)c1c(F)cccc1-c1ccccc1
InChIInChI=1S/C20H16FN/c1-14-10-12-16(13-11-14)20(22)19-17(8-5-9-18(19)21)15-6-3-2-4-7-15/h2-13,22H,1H3/b22-20+
InChIKeyLMZXSSHYCWTFKV-LSDHQDQOSA-N
XLogP5.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.35
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine?
The IUPAC name of (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine (CID 135007703) is (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine.
What is the SMILES notation for (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine?
The canonical SMILES for (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine is [H]/N=C(\c1ccc(C)cc1)c1c(F)cccc1-c1ccccc1.
What is the InChIKey of (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine?
The InChIKey is LMZXSSHYCWTFKV-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H16FN/c1-14-10-12-16(13-11-14)20(22)19-17(8-5-9-18(19)21)15-6-3-2-4-7-15/h2-13,22H,1H3/b22-20+.
What are the key properties of (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine?
(2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine has a molecular weight of 289.35 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-phenylphenyl)-(4-methylphenyl)methanimine is sourced from PubChem (CID 135007703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).