2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline

C23H17F2N — CID 90266590

IUPAC2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline
SMILESCN(c1ccccc1F)c1ccc(-c2ccc3ccccc3c2)cc1F
InChIInChI=1S/C23H17F2N/c1-26(22-9-5-4-8-20(22)24)23-13-12-19(15-21(23)25)18-11-10-16-6-2-3-7-17(16)14-18/h2-15H,1H3
InChIKeyWHFNUTUATAENHG-UHFFFAOYSA-N
MW345.39 g/mol
LogP6.55
Rot. Bonds3

About 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline

2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline (PubChem CID 90266590) has the molecular formula C23H17F2N and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline.

Molecular Properties

Compound Name2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline
PubChem CID90266590
Molecular FormulaC23H17F2N
Molecular Weight345.39 g/mol
Exact Mass345.13
IUPAC Name2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline
SMILESCN(c1ccccc1F)c1ccc(-c2ccc3ccccc3c2)cc1F
InChIInChI=1S/C23H17F2N/c1-26(22-9-5-4-8-20(22)24)23-13-12-19(15-21(23)25)18-11-10-16-6-2-3-7-17(16)14-18/h2-15H,1H3
InChIKeyWHFNUTUATAENHG-UHFFFAOYSA-N
XLogP6.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.39
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 90266508
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-2-ylphenyl)-4-phenylaniline
CID 90266570
6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 90266616
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline
CID 90266492
N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 142481987
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
ethane;N-methyl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 143983755
N-methyl-N-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 163929020
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
2,5-bis(2-fluoro-N-methylanilino)benzene-1,4-dicarbonitrile
CID 21058556
N-methyl-3-naphthalen-2-yl-N-phenylaniline
CID 149001874

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline?
The IUPAC name of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline (CID 90266590) is 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline.
What is the SMILES notation for 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline?
The canonical SMILES for 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline is CN(c1ccccc1F)c1ccc(-c2ccc3ccccc3c2)cc1F.
What is the InChIKey of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline?
The InChIKey is WHFNUTUATAENHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N/c1-26(22-9-5-4-8-20(22)24)23-13-12-19(15-21(23)25)18-11-10-16-6-2-3-7-17(16)14-18/h2-15H,1H3.
What are the key properties of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline?
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline has a molecular weight of 345.39 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline is sourced from PubChem (CID 90266590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).