2,6-difluoro-N-(1-phenylbutyl)aniline

C16H17F2N — CID 43123906

IUPAC2,6-difluoro-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H17F2N/c1-2-7-15(12-8-4-3-5-9-12)19-16-13(17)10-6-11-14(16)18/h3-6,8-11,15,19H,2,7H2,1H3
InChIKeyMIJWFGZLHOGUKW-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.92
Rot. Bonds5

About 2,6-difluoro-N-(1-phenylbutyl)aniline

2,6-difluoro-N-(1-phenylbutyl)aniline (PubChem CID 43123906) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(1-phenylbutyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(1-phenylbutyl)aniline
PubChem CID43123906
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2,6-difluoro-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H17F2N/c1-2-7-15(12-8-4-3-5-9-12)19-16-13(17)10-6-11-14(16)18/h3-6,8-11,15,19H,2,7H2,1H3
InChIKeyMIJWFGZLHOGUKW-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline
CID 83076818
3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
2,6-dichloro-N-[1-(4-chlorophenyl)butyl]aniline
CID 65467204
2-bromo-6-fluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 107598180
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43123944
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1-phenylbutyl)aniline?
The IUPAC name of 2,6-difluoro-N-(1-phenylbutyl)aniline (CID 43123906) is 2,6-difluoro-N-(1-phenylbutyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(1-phenylbutyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(1-phenylbutyl)aniline is CCCC(Nc1c(F)cccc1F)c1ccccc1.
What is the InChIKey of 2,6-difluoro-N-(1-phenylbutyl)aniline?
The InChIKey is MIJWFGZLHOGUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-7-15(12-8-4-3-5-9-12)19-16-13(17)10-6-11-14(16)18/h3-6,8-11,15,19H,2,7H2,1H3.
What are the key properties of 2,6-difluoro-N-(1-phenylbutyl)aniline?
2,6-difluoro-N-(1-phenylbutyl)aniline has a molecular weight of 261.31 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1-phenylbutyl)aniline is sourced from PubChem (CID 43123906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).