N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline

C11H15F2NO2 — CID 103584677

IUPACN-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline
SMILESCOC(CNc1cc(F)c(C)cc1F)OC
InChIInChI=1S/C11H15F2NO2/c1-7-4-9(13)10(5-8(7)12)14-6-11(15-2)16-3/h4-5,11,14H,6H2,1-3H3
InChIKeyGTBKBBBWWPQLFG-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.30
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline

N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline (PubChem CID 103584677) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline
PubChem CID103584677
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC NameN-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline
SMILESCOC(CNc1cc(F)c(C)cc1F)OC
InChIInChI=1S/C11H15F2NO2/c1-7-4-9(13)10(5-8(7)12)14-6-11(15-2)16-3/h4-5,11,14H,6H2,1-3H3
InChIKeyGTBKBBBWWPQLFG-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol
CID 103585509
N-(2,2-dimethoxyethyl)-2-fluoro-5-nitroaniline
CID 63695811
2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
CID 103585744
N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
CID 103584848
methyl 4-(2,5-difluoro-4-methylanilino)butanoate
CID 103585526
N-(2,2-dimethoxyethyl)-3,5-difluoroaniline
CID 63686979
2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline
CID 103584772
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
methyl 3-(2,2-dimethoxyethylamino)-4-methylbenzoate
CID 63685165
5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
CID 107592069
2-chloro-N-(2,2-dimethoxyethyl)-5-methylaniline
CID 107630559
N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine
CID 79042345

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline?
The IUPAC name of N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline (CID 103584677) is N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline is COC(CNc1cc(F)c(C)cc1F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline?
The InChIKey is GTBKBBBWWPQLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-7-4-9(13)10(5-8(7)12)14-6-11(15-2)16-3/h4-5,11,14H,6H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline?
N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline has a molecular weight of 231.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103584677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).