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

C21H19F2N — CID 166514655

IUPAC4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2ccc(F)cc2)c2ccc(F)cc2)cc(C)c1N
InChIInChI=1S/C21H19F2N/c1-13-11-17(12-14(2)21(13)24)20(15-3-7-18(22)8-4-15)16-5-9-19(23)10-6-16/h3-12,20H,24H2,1-2H3
InChIKeyNSXWQSTUECEOST-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.34
Rot. Bonds3

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

4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline (PubChem CID 166514655) has the molecular formula C21H19F2N and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline
PubChem CID166514655
Molecular FormulaC21H19F2N
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2ccc(F)cc2)c2ccc(F)cc2)cc(C)c1N
InChIInChI=1S/C21H19F2N/c1-13-11-17(12-14(2)21(13)24)20(15-3-7-18(22)8-4-15)16-5-9-19(23)10-6-16/h3-12,20H,24H2,1-2H3
InChIKeyNSXWQSTUECEOST-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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Related Compounds

4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
CID 11289344
2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 102424992
4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline
CID 102145996
4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline
CID 146638185
1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene
CID 59749663
2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82023265
2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid
CID 102233570
CID 136701578
CID 136701578
4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline
CID 147613699
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene
CID 153499802
4-[[4-[bis(4-carboxy-3,5-dimethylphenyl)methyl]phenyl]-(4-carboxy-3,5-dimethylphenyl)methyl]-2,6-dimethylbenzoic acid
CID 139962404

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline (CID 166514655) is 4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline is Cc1cc(C(c2ccc(F)cc2)c2ccc(F)cc2)cc(C)c1N.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline?
The InChIKey is NSXWQSTUECEOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N/c1-13-11-17(12-14(2)21(13)24)20(15-3-7-18(22)8-4-15)16-5-9-19(23)10-6-16/h3-12,20H,24H2,1-2H3.
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline?
4-[bis(4-fluorophenyl)methyl]-2,6-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 4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 166514655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).