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

C12H17F2NO — CID 102975625

IUPAC2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOC(C)(C)CCNc1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,16-3)7-8-15-11-9(13)5-4-6-10(11)14/h4-6,15H,7-8H2,1-3H3
InChIKeyJMWQFZYEPLKZTE-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.19
Rot. Bonds5

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

2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline (PubChem CID 102975625) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
PubChem CID102975625
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOC(C)(C)CCNc1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,16-3)7-8-15-11-9(13)5-4-6-10(11)14/h4-6,15H,7-8H2,1-3H3
InChIKeyJMWQFZYEPLKZTE-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975543
2,6-difluoro-N-(3-methoxypropyl)aniline
CID 60926433
2,6-difluoro-N-propylaniline
CID 21161523
N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
2,4-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975547
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450
N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline
CID 102975622
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
4-fluoro-N-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)aniline
CID 102975771
N-ethyl-2,6-difluoroaniline
CID 23270171
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline
CID 106675276

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline?
The IUPAC name of 2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline (CID 102975625) is 2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline is COC(C)(C)CCNc1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline?
The InChIKey is JMWQFZYEPLKZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,16-3)7-8-15-11-9(13)5-4-6-10(11)14/h4-6,15H,7-8H2,1-3H3.
What are the key properties of 2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline?
2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline has a molecular weight of 229.27 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline is sourced from PubChem (CID 102975625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).