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

C12H17F2N — CID 82816283

IUPAC2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
SMILESCc1ccc(F)c(NCCC(C)C)c1F
InChIInChI=1S/C12H17F2N/c1-8(2)6-7-15-12-10(13)5-4-9(3)11(12)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyYAKDWTOENQKOMC-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.73
Rot. Bonds4

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

2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline (PubChem CID 82816283) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
PubChem CID82816283
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
SMILESCc1ccc(F)c(NCCC(C)C)c1F
InChIInChI=1S/C12H17F2N/c1-8(2)6-7-15-12-10(13)5-4-9(3)11(12)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyYAKDWTOENQKOMC-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 82818577
2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline
CID 82818122
N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
CID 82818970
2,6-difluoro-3-methyl-N-(3-methylsulfanylpropyl)aniline
CID 82818042
2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline
CID 82816277
2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 82818771
2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide
CID 82817932
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
CID 82850159
3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
CID 82819128
2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
CID 82816575
2-fluoro-4-methyl-N-(3-methylbutyl)aniline
CID 28877553

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline (CID 82816283) is 2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline is Cc1ccc(F)c(NCCC(C)C)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline?
The InChIKey is YAKDWTOENQKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(2)6-7-15-12-10(13)5-4-9(3)11(12)14/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline?
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline has a molecular weight of 213.27 g/mol, XLogP of 3.73, 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-(3-methylbutyl)aniline is sourced from PubChem (CID 82816283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).