3-(difluoromethoxy)-N-(2-methylpropyl)aniline

C11H15F2NO — CID 43698814

IUPAC3-(difluoromethoxy)-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-8(2)7-14-9-4-3-5-10(6-9)15-11(12)13/h3-6,8,11,14H,7H2,1-2H3
InChIKeyFKDFGQZZUCVILT-UHFFFAOYSA-N
MW215.24 g/mol
LogP3.36
Rot. Bonds5

About 3-(difluoromethoxy)-N-(2-methylpropyl)aniline

3-(difluoromethoxy)-N-(2-methylpropyl)aniline (PubChem CID 43698814) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-methylpropyl)aniline
PubChem CID43698814
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-(difluoromethoxy)-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-8(2)7-14-9-4-3-5-10(6-9)15-11(12)13/h3-6,8,11,14H,7H2,1-2H3
InChIKeyFKDFGQZZUCVILT-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
CID 55233867
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
3-[3-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81412020
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
3-(difluoromethoxy)-N-(4-methylsulfanylbutyl)aniline
CID 103087523
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115633699
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-[(5-bromothiophen-3-yl)methyl]-3-(difluoromethoxy)aniline
CID 43699084

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-methylpropyl)aniline?
The IUPAC name of 3-(difluoromethoxy)-N-(2-methylpropyl)aniline (CID 43698814) is 3-(difluoromethoxy)-N-(2-methylpropyl)aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-methylpropyl)aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-methylpropyl)aniline is CC(C)CNc1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-methylpropyl)aniline?
The InChIKey is FKDFGQZZUCVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(2)7-14-9-4-3-5-10(6-9)15-11(12)13/h3-6,8,11,14H,7H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N-(2-methylpropyl)aniline?
3-(difluoromethoxy)-N-(2-methylpropyl)aniline has a molecular weight of 215.24 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 43698814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).