3-(2,5-difluorophenyl)-2-methylaniline

C13H11F2N — CID 107626523

IUPAC3-(2,5-difluorophenyl)-2-methylaniline
SMILESCc1c(N)cccc1-c1cc(F)ccc1F
InChIInChI=1S/C13H11F2N/c1-8-10(3-2-4-13(8)16)11-7-9(14)5-6-12(11)15/h2-7H,16H2,1H3
InChIKeyHQNZXARARMXXPI-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.52
Rot. Bonds1

About 3-(2,5-difluorophenyl)-2-methylaniline

3-(2,5-difluorophenyl)-2-methylaniline (PubChem CID 107626523) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-2-methylaniline.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-2-methylaniline
PubChem CID107626523
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name3-(2,5-difluorophenyl)-2-methylaniline
SMILESCc1c(N)cccc1-c1cc(F)ccc1F
InChIInChI=1S/C13H11F2N/c1-8-10(3-2-4-13(8)16)11-7-9(14)5-6-12(11)15/h2-7H,16H2,1H3
InChIKeyHQNZXARARMXXPI-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
3-(2-amino-5-methylphenyl)-2-methylaniline
CID 68787486
3-(3,5-dimethylphenyl)-2-methylaniline
CID 107626341
2-(2,5-difluorophenyl)phenol
CID 53218546
1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
1,4-difluoro-2-(2-iodophenyl)benzene
CID 172676558
2-(2,5-difluorophenyl)-6-methoxyphenol
CID 83129806
2,5-difluoroaniline;ethane
CID 143759951
2-methyl-3-phenylaniline
CID 10511683

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-2-methylaniline?
The IUPAC name of 3-(2,5-difluorophenyl)-2-methylaniline (CID 107626523) is 3-(2,5-difluorophenyl)-2-methylaniline.
What is the SMILES notation for 3-(2,5-difluorophenyl)-2-methylaniline?
The canonical SMILES for 3-(2,5-difluorophenyl)-2-methylaniline is Cc1c(N)cccc1-c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-2-methylaniline?
The InChIKey is HQNZXARARMXXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c1-8-10(3-2-4-13(8)16)11-7-9(14)5-6-12(11)15/h2-7H,16H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-2-methylaniline?
3-(2,5-difluorophenyl)-2-methylaniline has a molecular weight of 219.23 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-2-methylaniline is sourced from PubChem (CID 107626523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).