3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol

C13H19F2NO3 — CID 81412021

IUPAC3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(OC(F)F)c(NCC(C)(C)CO)c1
InChIInChI=1S/C13H19F2NO3/c1-13(2,8-17)7-16-10-6-9(18-3)4-5-11(10)19-12(14)15/h4-6,12,16-17H,7-8H2,1-3H3
InChIKeySCBNDDKUTGUOEU-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.73
Rot. Bonds7

About 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol

3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol (PubChem CID 81412021) has the molecular formula C13H19F2NO3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
PubChem CID81412021
Molecular FormulaC13H19F2NO3
Molecular Weight275.30 g/mol
Exact Mass275.13
IUPAC Name3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(OC(F)F)c(NCC(C)(C)CO)c1
InChIInChI=1S/C13H19F2NO3/c1-13(2,8-17)7-16-10-6-9(18-3)4-5-11(10)19-12(14)15/h4-6,12,16-17H,7-8H2,1-3H3
InChIKeySCBNDDKUTGUOEU-UHFFFAOYSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
CID 81412901
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol
CID 81401237
5-[2-(difluoromethoxy)-5-methoxyanilino]-4,4-dimethylpentanenitrile
CID 115884218
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
CID 43699564
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
CID 103928752
N-[(4-bromothiophen-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 43699802
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43699612
N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 103818584

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol (CID 81412021) is 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol is COc1ccc(OC(F)F)c(NCC(C)(C)CO)c1.
What is the InChIKey of 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol?
The InChIKey is SCBNDDKUTGUOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3/c1-13(2,8-17)7-16-10-6-9(18-3)4-5-11(10)19-12(14)15/h4-6,12,16-17H,7-8H2,1-3H3.
What are the key properties of 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol?
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol has a molecular weight of 275.30 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81412021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).