2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline

C21H19F2N — CID 139239336

IUPAC2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(C(c2ccc(F)cc2)c2ccc(F)cc2)c1
InChIInChI=1S/C21H19F2N/c1-13-11-14(2)21(24)19(12-13)20(15-3-7-17(22)8-4-15)16-5-9-18(23)10-6-16/h3-12,20H,24H2,1-2H3
InChIKeyHHTGFWUJFWPSHS-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.34
Rot. Bonds3

About 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline

2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline (PubChem CID 139239336) has the molecular formula C21H19F2N and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline
PubChem CID139239336
Molecular FormulaC21H19F2N
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(C(c2ccc(F)cc2)c2ccc(F)cc2)c1
InChIInChI=1S/C21H19F2N/c1-13-11-14(2)21(24)19(12-13)20(15-3-7-17(22)8-4-15)16-5-9-18(23)10-6-16/h3-12,20H,24H2,1-2H3
InChIKeyHHTGFWUJFWPSHS-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline?
The IUPAC name of 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline (CID 139239336) is 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline?
The canonical SMILES for 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline is Cc1cc(C)c(N)c(C(c2ccc(F)cc2)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline?
The InChIKey is HHTGFWUJFWPSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N/c1-13-11-14(2)21(24)19(12-13)20(15-3-7-17(22)8-4-15)16-5-9-18(23)10-6-16/h3-12,20H,24H2,1-2H3.
What are the key properties of 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline?
2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline has a molecular weight of 323.39 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methyl]-4,6-dimethylaniline is sourced from PubChem (CID 139239336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).