2,4-difluoro-N-(4-methoxybutyl)aniline

C11H15F2NO — CID 115776867

IUPAC2,4-difluoro-N-(4-methoxybutyl)aniline
SMILESCOCCCCNc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-15-7-3-2-6-14-11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyYFMREZWFFQYQJZ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.80
Rot. Bonds6

About 2,4-difluoro-N-(4-methoxybutyl)aniline

2,4-difluoro-N-(4-methoxybutyl)aniline (PubChem CID 115776867) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-methoxybutyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(4-methoxybutyl)aniline
PubChem CID115776867
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2,4-difluoro-N-(4-methoxybutyl)aniline
SMILESCOCCCCNc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-15-7-3-2-6-14-11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyYFMREZWFFQYQJZ-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.80
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

4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
3-fluoro-4-(4-methoxybutylamino)benzoic acid
CID 62710161
2,4-difluoro-N-nonylaniline
CID 43129325
2,3,4-trifluoro-N-(4-methoxybutyl)aniline
CID 115735659
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
methyl 4-(2,4-difluoroanilino)butanoate
CID 43377916
5-fluoro-2-(3-methoxypropylamino)benzonitrile
CID 63674796
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
5-(2,4-difluoroanilino)pentanenitrile
CID 60679330
2,4-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975547
2-N-(2,4-difluorophenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886150

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-methoxybutyl)aniline?
The IUPAC name of 2,4-difluoro-N-(4-methoxybutyl)aniline (CID 115776867) is 2,4-difluoro-N-(4-methoxybutyl)aniline.
What is the SMILES notation for 2,4-difluoro-N-(4-methoxybutyl)aniline?
The canonical SMILES for 2,4-difluoro-N-(4-methoxybutyl)aniline is COCCCCNc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(4-methoxybutyl)aniline?
The InChIKey is YFMREZWFFQYQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-7-3-2-6-14-11-5-4-9(12)8-10(11)13/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 2,4-difluoro-N-(4-methoxybutyl)aniline?
2,4-difluoro-N-(4-methoxybutyl)aniline has a molecular weight of 215.24 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-methoxybutyl)aniline is sourced from PubChem (CID 115776867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).