N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline

C16H25F2N — CID 172841035

IUPACN-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline
SMILESCCCCCC(C)(CC)CNc1ccc(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-6-7-10-16(3,5-2)12-19-15-9-8-13(17)11-14(15)18/h8-9,11,19H,4-7,10,12H2,1-3H3
InChIKeyFMPSYSWJDINSTB-UHFFFAOYSA-N
MW269.38 g/mol
LogP5.37
Rot. Bonds8

About N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline

N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline (PubChem CID 172841035) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline.

Molecular Properties

Compound NameN-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline
PubChem CID172841035
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline
SMILESCCCCCC(C)(CC)CNc1ccc(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-6-7-10-16(3,5-2)12-19-15-9-8-13(17)11-14(15)18/h8-9,11,19H,4-7,10,12H2,1-3H3
InChIKeyFMPSYSWJDINSTB-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.38
LogP ≤ 55.37
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

2,4-difluoro-N-nonylaniline
CID 43129325
3-(2,4-difluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414588
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2,4-difluoro-N-heptan-2-ylaniline
CID 43095629
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
N-(2,4-difluorophenyl)hexanamide
CID 3484261
4-(2,4-difluoroanilino)-3,3-dimethylbutanoic acid
CID 115220201
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide
CID 57218649
2,4-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975547
5-ethyl-5-methylundecane
CID 57491570

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline?
The IUPAC name of N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline (CID 172841035) is N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline.
What is the SMILES notation for N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline?
The canonical SMILES for N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline is CCCCCC(C)(CC)CNc1ccc(F)cc1F.
What is the InChIKey of N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline?
The InChIKey is FMPSYSWJDINSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-6-7-10-16(3,5-2)12-19-15-9-8-13(17)11-14(15)18/h8-9,11,19H,4-7,10,12H2,1-3H3.
What are the key properties of N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline?
N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline has a molecular weight of 269.38 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylheptyl)-2,4-difluoroaniline is sourced from PubChem (CID 172841035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).