2,6-difluoro-N-(2-methylpropyl)aniline

C10H13F2N — CID 28974507

IUPAC2,6-difluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1c(F)cccc1F
InChIInChI=1S/C10H13F2N/c1-7(2)6-13-10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyKHTPWWXAPNHMQN-UHFFFAOYSA-N
MW185.22 g/mol
LogP3.03
Rot. Bonds3

About 2,6-difluoro-N-(2-methylpropyl)aniline

2,6-difluoro-N-(2-methylpropyl)aniline (PubChem CID 28974507) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methylpropyl)aniline
PubChem CID28974507
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2,6-difluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1c(F)cccc1F
InChIInChI=1S/C10H13F2N/c1-7(2)6-13-10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyKHTPWWXAPNHMQN-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
3-(2,6-difluoroanilino)-2-methylpropanamide
CID 43312157
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
N-ethyl-2,6-difluoroaniline
CID 23270171
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
2,6-difluoro-N-propylaniline
CID 21161523
2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
CID 107599525
3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
CID 107599348
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383918
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methylpropyl)aniline?
The IUPAC name of 2,6-difluoro-N-(2-methylpropyl)aniline (CID 28974507) is 2,6-difluoro-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(2-methylpropyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(2-methylpropyl)aniline is CC(C)CNc1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-methylpropyl)aniline?
The InChIKey is KHTPWWXAPNHMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7(2)6-13-10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2,6-difluoro-N-(2-methylpropyl)aniline?
2,6-difluoro-N-(2-methylpropyl)aniline has a molecular weight of 185.22 g/mol, XLogP of 3.03, 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-methylpropyl)aniline is sourced from PubChem (CID 28974507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).