2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline

C13H19F2NO — CID 43100384

IUPAC2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO/c1-9(2)8-10(3)16-11-6-4-5-7-12(11)17-13(14)15/h4-7,9-10,13,16H,8H2,1-3H3
InChIKeyGMFZIPSQNNMGEX-UHFFFAOYSA-N
MW243.30 g/mol
LogP4.13
Rot. Bonds6

About 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline

2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline (PubChem CID 43100384) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
PubChem CID43100384
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO/c1-9(2)8-10(3)16-11-6-4-5-7-12(11)17-13(14)15/h4-7,9-10,13,16H,8H2,1-3H3
InChIKeyGMFZIPSQNNMGEX-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide
CID 43244384
2-methyl-N-(4-methylpentan-2-yl)aniline
CID 43196655
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol
CID 107705148
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
CID 43766730
2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
CID 77030017
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118159
N-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline (CID 43100384) is 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline is CC(C)CC(C)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline?
The InChIKey is GMFZIPSQNNMGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(2)8-10(3)16-11-6-4-5-7-12(11)17-13(14)15/h4-7,9-10,13,16H,8H2,1-3H3.
What are the key properties of 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline?
2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline has a molecular weight of 243.30 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 43100384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).