2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline

C13H19F2N — CID 103585744

IUPAC2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
SMILESCc1cc(F)c(NCCCC(C)C)cc1F
InChIInChI=1S/C13H19F2N/c1-9(2)5-4-6-16-13-8-11(14)10(3)7-12(13)15/h7-9,16H,4-6H2,1-3H3
InChIKeyBZNLLJABHTTYFS-UHFFFAOYSA-N
MW227.30 g/mol
LogP4.12
Rot. Bonds5

About 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline

2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline (PubChem CID 103585744) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
PubChem CID103585744
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
SMILESCc1cc(F)c(NCCCC(C)C)cc1F
InChIInChI=1S/C13H19F2N/c1-9(2)5-4-6-16-13-8-11(14)10(3)7-12(13)15/h7-9,16H,4-6H2,1-3H3
InChIKeyBZNLLJABHTTYFS-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-4-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103585178
5-bromo-2-fluoro-N-(4-methylpentyl)aniline
CID 83157091
2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline
CID 103584755
4-fluoro-5-methyl-N-(7-methyloctyl)-2-nitroaniline
CID 107816072
methyl 4-(2,5-difluoro-4-methylanilino)butanoate
CID 103585526
3,5-difluoro-1-N-(4-methylpentyl)benzene-1,2-diamine
CID 115506964
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol
CID 103585509
5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
CID 103586293
3,4-difluoro-N-(4-methylpentyl)aniline
CID 83155387
N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide
CID 107530150
4-bromo-5-fluoro-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814758

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline?
The IUPAC name of 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline (CID 103585744) is 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline?
The canonical SMILES for 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline is Cc1cc(F)c(NCCCC(C)C)cc1F.
What is the InChIKey of 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline?
The InChIKey is BZNLLJABHTTYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-9(2)5-4-6-16-13-8-11(14)10(3)7-12(13)15/h7-9,16H,4-6H2,1-3H3.
What are the key properties of 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline?
2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline has a molecular weight of 227.30 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline is sourced from PubChem (CID 103585744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).