2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline

C15H15F2N — CID 82816277

IUPAC2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline
SMILESCc1ccc(F)c(NCCc2ccccc2)c1F
InChIInChI=1S/C15H15F2N/c1-11-7-8-13(16)15(14(11)17)18-10-9-12-5-3-2-4-6-12/h2-8,18H,9-10H2,1H3
InChIKeySOHHNOGCLXLCGA-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.93
Rot. Bonds4

About 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline

2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline (PubChem CID 82816277) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline
PubChem CID82816277
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline
SMILESCc1ccc(F)c(NCCc2ccccc2)c1F
InChIInChI=1S/C15H15F2N/c1-11-7-8-13(16)15(14(11)17)18-10-9-12-5-3-2-4-6-12/h2-8,18H,9-10H2,1H3
InChIKeySOHHNOGCLXLCGA-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
ethane;N-(2-phenylethyl)aniline
CID 91194556
2-[(2,6-difluoro-3-methylanilino)methyl]phenol
CID 82815772
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
2,6-difluoro-N-(4-phenylbutyl)aniline
CID 114333174
N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
CID 82818970
3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125830
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline
CID 142475732
2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82815913

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline (CID 82816277) is 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline is Cc1ccc(F)c(NCCc2ccccc2)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline?
The InChIKey is SOHHNOGCLXLCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-11-7-8-13(16)15(14(11)17)18-10-9-12-5-3-2-4-6-12/h2-8,18H,9-10H2,1H3.
What are the key properties of 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline?
2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline has a molecular weight of 247.29 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 82816277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).