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

C14H19F2N — CID 82815625

IUPAC2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline
SMILESCc1ccc(F)c(NC2CCCCC2C)c1F
InChIInChI=1S/C14H19F2N/c1-9-5-3-4-6-12(9)17-14-11(15)8-7-10(2)13(14)16/h7-9,12,17H,3-6H2,1-2H3
InChIKeyDTZFXCOSNSQZEJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP4.26
Rot. Bonds2

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

2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline (PubChem CID 82815625) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline
PubChem CID82815625
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline
SMILESCc1ccc(F)c(NC2CCCCC2C)c1F
InChIInChI=1S/C14H19F2N/c1-9-5-3-4-6-12(9)17-14-11(15)8-7-10(2)13(14)16/h7-9,12,17H,3-6H2,1-2H3
InChIKeyDTZFXCOSNSQZEJ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline
CID 107597928
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007
3-(2,6-difluoro-3-methylanilino)azepan-2-one
CID 82818891
2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104
N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline
CID 82816054
3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine
CID 82818304
N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine
CID 82818303
N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine
CID 82818446
2,6-dimethyl-3-[(2-methylcyclohexyl)amino]phenol
CID 43741722
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline (CID 82815625) is 2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline is Cc1ccc(F)c(NC2CCCCC2C)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline?
The InChIKey is DTZFXCOSNSQZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9-5-3-4-6-12(9)17-14-11(15)8-7-10(2)13(14)16/h7-9,12,17H,3-6H2,1-2H3.
What are the key properties of 2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline?
2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline has a molecular weight of 239.31 g/mol, XLogP of 4.26, 2 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-methylcyclohexyl)aniline is sourced from PubChem (CID 82815625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).