2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane

C25H26F2N2 — CID 3647478

IUPAC2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane
SMILESCc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c2ccccc2F)cc1
InChIInChI=1S/C25H26F2N2/c1-19-7-9-20(10-8-19)17-28-15-4-16-29(18-21-11-13-22(26)14-12-21)25(28)23-5-2-3-6-24(23)27/h2-3,5-14,25H,4,15-18H2,1H3
InChIKeyANYHNSYCKFHXDF-UHFFFAOYSA-N
MW392.49 g/mol
LogP5.68
Rot. Bonds5

About 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane

2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane (PubChem CID 3647478) has the molecular formula C25H26F2N2 and a molecular weight of 392.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane
PubChem CID3647478
Molecular FormulaC25H26F2N2
Molecular Weight392.49 g/mol
Exact Mass392.21
IUPAC Name2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane
SMILESCc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c2ccccc2F)cc1
InChIInChI=1S/C25H26F2N2/c1-19-7-9-20(10-8-19)17-28-15-4-16-29(18-21-11-13-22(26)14-12-21)25(28)23-5-2-3-6-24(23)27/h2-3,5-14,25H,4,15-18H2,1H3
InChIKeyANYHNSYCKFHXDF-UHFFFAOYSA-N
XLogP5.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane?
The IUPAC name of 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane (CID 3647478) is 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane?
The canonical SMILES for 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane is Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane?
The InChIKey is ANYHNSYCKFHXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2/c1-19-7-9-20(10-8-19)17-28-15-4-16-29(18-21-11-13-22(26)14-12-21)25(28)23-5-2-3-6-24(23)27/h2-3,5-14,25H,4,15-18H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane?
2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane has a molecular weight of 392.49 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,3-diazinane is sourced from PubChem (CID 3647478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).