N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline

C15H15F2N — CID 54957845

IUPACN-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline
SMILESCc1ccc(C)c(CNc2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2N/c1-10-6-7-11(2)12(8-10)9-18-14-5-3-4-13(16)15(14)17/h3-8,18H,9H2,1-2H3
InChIKeyPEWAGESLJPIIIO-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.19
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline

N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline (PubChem CID 54957845) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline
PubChem CID54957845
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline
SMILESCc1ccc(C)c(CNc2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2N/c1-10-6-7-11(2)12(8-10)9-18-14-5-3-4-13(16)15(14)17/h3-8,18H,9H2,1-2H3
InChIKeyPEWAGESLJPIIIO-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline (CID 54957845) is N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline is Cc1ccc(C)c(CNc2cccc(F)c2F)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline?
The InChIKey is PEWAGESLJPIIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-6-7-11(2)12(8-10)9-18-14-5-3-4-13(16)15(14)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline?
N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline has a molecular weight of 247.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline is sourced from PubChem (CID 54957845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).