2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline

C12H17F2NO2 — CID 43699541

IUPAC2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
SMILESCOc1ccc(OC(F)F)c(NCC(C)C)c1
InChIInChI=1S/C12H17F2NO2/c1-8(2)7-15-10-6-9(16-3)4-5-11(10)17-12(13)14/h4-6,8,12,15H,7H2,1-3H3
InChIKeyCNHUSCBRAQLEHK-UHFFFAOYSA-N
MW245.27 g/mol
LogP3.36
Rot. Bonds6

About 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline

2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline (PubChem CID 43699541) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
PubChem CID43699541
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
SMILESCOc1ccc(OC(F)F)c(NCC(C)C)c1
InChIInChI=1S/C12H17F2NO2/c1-8(2)7-15-10-6-9(16-3)4-5-11(10)17-12(13)14/h4-6,8,12,15H,7H2,1-3H3
InChIKeyCNHUSCBRAQLEHK-UHFFFAOYSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43699612
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
CID 43699564
N-[(4-bromothiophen-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 43699802
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
CID 81412901
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol
CID 81401237
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81308332
2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637305
N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 103818584
5-[2-(difluoromethoxy)-5-methoxyanilino]-4,4-dimethylpentanenitrile
CID 115884218

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline (CID 43699541) is 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline is COc1ccc(OC(F)F)c(NCC(C)C)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline?
The InChIKey is CNHUSCBRAQLEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-8(2)7-15-10-6-9(16-3)4-5-11(10)17-12(13)14/h4-6,8,12,15H,7H2,1-3H3.
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline?
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline has a molecular weight of 245.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline is sourced from PubChem (CID 43699541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).