2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline

C16H17F2N — CID 43773134

IUPAC2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2c(F)cccc2F)cc1C
InChIInChI=1S/C16H17F2N/c1-10-7-12(3)13(8-11(10)2)9-19-16-14(17)5-4-6-15(16)18/h4-8,19H,9H2,1-3H3
InChIKeyUJQOTQYATIUZSZ-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.50
Rot. Bonds3

About 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline

2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 43773134) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID43773134
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2c(F)cccc2F)cc1C
InChIInChI=1S/C16H17F2N/c1-10-7-12(3)13(8-11(10)2)9-19-16-14(17)5-4-6-15(16)18/h4-8,19H,9H2,1-3H3
InChIKeyUJQOTQYATIUZSZ-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-2,6-difluoroaniline
CID 60687426
N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline
CID 114075525
1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43221048
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43775035
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
2-fluoro-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772308
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline
CID 783773
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline (CID 43773134) is 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline is Cc1cc(C)c(CNc2c(F)cccc2F)cc1C.
What is the InChIKey of 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is UJQOTQYATIUZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-7-12(3)13(8-11(10)2)9-19-16-14(17)5-4-6-15(16)18/h4-8,19H,9H2,1-3H3.
What are the key properties of 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline?
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 261.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 43773134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).