2-(difluoromethoxy)-N-(2-methylbutyl)aniline

C12H17F2NO — CID 43097160

IUPAC2-(difluoromethoxy)-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO/c1-3-9(2)8-15-10-6-4-5-7-11(10)16-12(13)14/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyNGTAXRMVCWBHCN-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.75
Rot. Bonds6

About 2-(difluoromethoxy)-N-(2-methylbutyl)aniline

2-(difluoromethoxy)-N-(2-methylbutyl)aniline (PubChem CID 43097160) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(2-methylbutyl)aniline
PubChem CID43097160
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-(difluoromethoxy)-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO/c1-3-9(2)8-15-10-6-4-5-7-11(10)16-12(13)14/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyNGTAXRMVCWBHCN-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
N-(2-methylbutyl)-2-propoxyaniline
CID 43682211
2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
N-decyl-2-(difluoromethoxy)aniline
CID 63489062
2-(difluoromethoxy)-N-hexylaniline
CID 28877775
1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60900433
3-(difluoromethoxy)-4-methoxy-N-(2-methylbutyl)aniline
CID 43731307
2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
CID 43100384
2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
CID 114333183
2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311383
butyl 2-[2-(difluoromethoxy)anilino]acetate
CID 60679734
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(2-methylbutyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-N-(2-methylbutyl)aniline (CID 43097160) is 2-(difluoromethoxy)-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-(2-methylbutyl)aniline is CCC(C)CNc1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(2-methylbutyl)aniline?
The InChIKey is NGTAXRMVCWBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-9(2)8-15-10-6-4-5-7-11(10)16-12(13)14/h4-7,9,12,15H,3,8H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-N-(2-methylbutyl)aniline?
2-(difluoromethoxy)-N-(2-methylbutyl)aniline has a molecular weight of 229.27 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(2-methylbutyl)aniline is sourced from PubChem (CID 43097160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).