2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol

C14H21F2NO3 — CID 81412901

IUPAC2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-4-14(2,9-18)8-17-11-7-10(19-3)5-6-12(11)20-13(15)16/h5-7,13,17-18H,4,8-9H2,1-3H3
InChIKeyNXRSJVGEFHAULR-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.12
Rot. Bonds8

About 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol

2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol (PubChem CID 81412901) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
PubChem CID81412901
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C14H21F2NO3/c1-4-14(2,9-18)8-17-11-7-10(19-3)5-6-12(11)20-13(15)16/h5-7,13,17-18H,4,8-9H2,1-3H3
InChIKeyNXRSJVGEFHAULR-UHFFFAOYSA-N
XLogP3.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol
CID 81401237
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
5-[2-(difluoromethoxy)-5-methoxyanilino]-4,4-dimethylpentanenitrile
CID 115884218
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
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide
CID 62856668
2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81412732
2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637305
2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol
CID 81412194
(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
CID 103928752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol (CID 81412901) is 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNc1cc(OC)ccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol?
The InChIKey is NXRSJVGEFHAULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3/c1-4-14(2,9-18)8-17-11-7-10(19-3)5-6-12(11)20-13(15)16/h5-7,13,17-18H,4,8-9H2,1-3H3.
What are the key properties of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol?
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol has a molecular weight of 289.32 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).