2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline

C12H17F2N — CID 82818122

IUPAC2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCc1ccc(F)c(NC(C)C(C)C)c1F
InChIInChI=1S/C12H17F2N/c1-7(2)9(4)15-12-10(13)6-5-8(3)11(12)14/h5-7,9,15H,1-4H3
InChIKeyHMPDYPDRBCSELJ-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.73
Rot. Bonds3

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

2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 82818122) 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-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID82818122
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCc1ccc(F)c(NC(C)C(C)C)c1F
InChIInChI=1S/C12H17F2N/c1-7(2)9(4)15-12-10(13)6-5-8(3)11(12)14/h5-7,9,15H,1-4H3
InChIKeyHMPDYPDRBCSELJ-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

3-(2,6-difluoro-3-methylanilino)-2-methylbutanoic acid
CID 82818644
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline
CID 82816054
2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline
CID 82816580
2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
CID 82816575
2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 82818791
2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82818453
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82819096
4-[1-(2,6-difluoro-3-methylanilino)ethyl]benzonitrile
CID 82818775
N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-difluoro-3-methylaniline
CID 107354512
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
CID 82818464

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline (CID 82818122) is 2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline is Cc1ccc(F)c(NC(C)C(C)C)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is HMPDYPDRBCSELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-7(2)9(4)15-12-10(13)6-5-8(3)11(12)14/h5-7,9,15H,1-4H3.
What are the key properties of 2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline?
2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 213.27 g/mol, XLogP of 3.73, 3 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-methylbutan-2-yl)aniline is sourced from PubChem (CID 82818122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).