N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline

C11H15F2NO — CID 82818970

IUPACN-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
SMILESCCOCCNc1c(F)ccc(C)c1F
InChIInChI=1S/C11H15F2NO/c1-3-15-7-6-14-11-9(12)5-4-8(2)10(11)13/h4-5,14H,3,6-7H2,1-2H3
InChIKeyZOIZREWKAMFBMZ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.72
Rot. Bonds5

About N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline

N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline (PubChem CID 82818970) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
PubChem CID82818970
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
SMILESCCOCCNc1c(F)ccc(C)c1F
InChIInChI=1S/C11H15F2NO/c1-3-15-7-6-14-11-9(12)5-4-8(2)10(11)13/h4-5,14H,3,6-7H2,1-2H3
InChIKeyZOIZREWKAMFBMZ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine
CID 62532492
N-(2-ethoxyethyl)-3,4,5-trifluoroaniline
CID 62810804
1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine
CID 61016952
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
CID 115550147
2,6-difluoro-3-methyl-N-(3-methylsulfanylpropyl)aniline
CID 82818042
2,6-difluoro-3-methyl-N-(2-phenylethyl)aniline
CID 82816277
3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
CID 82819128
N-(3-ethoxypropyl)-4-fluoro-3-methylaniline
CID 65175339
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
3-bromo-N-(2-ethoxyethyl)-4-methylaniline
CID 63334214

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline?
The IUPAC name of N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline (CID 82818970) is N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline is CCOCCNc1c(F)ccc(C)c1F.
What is the InChIKey of N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline?
The InChIKey is ZOIZREWKAMFBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-15-7-6-14-11-9(12)5-4-8(2)10(11)13/h4-5,14H,3,6-7H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline?
N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline has a molecular weight of 215.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82818970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).