2,6-difluoro-N-(4-phenylbutyl)aniline

C16H17F2N — CID 114333174

IUPAC2,6-difluoro-N-(4-phenylbutyl)aniline
SMILESFc1cccc(F)c1NCCCCc1ccccc1
InChIInChI=1S/C16H17F2N/c17-14-10-6-11-15(18)16(14)19-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11,19H,4-5,9,12H2
InChIKeyOOWZQUYWFCHPEO-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.40
Rot. Bonds6

About 2,6-difluoro-N-(4-phenylbutyl)aniline

2,6-difluoro-N-(4-phenylbutyl)aniline (PubChem CID 114333174) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-phenylbutyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(4-phenylbutyl)aniline
PubChem CID114333174
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name2,6-difluoro-N-(4-phenylbutyl)aniline
SMILESFc1cccc(F)c1NCCCCc1ccccc1
InChIInChI=1S/C16H17F2N/c17-14-10-6-11-15(18)16(14)19-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11,19H,4-5,9,12H2
InChIKeyOOWZQUYWFCHPEO-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.40
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

N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
3,5-difluoro-4-(3-phenylpropylamino)benzoic acid
CID 63187020
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
4-(2,6-difluoroanilino)butanoic acid
CID 28974618
2-chloro-5-fluoro-N-(4-phenylbutyl)aniline
CID 107528122
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
4-phenylbutylbenzene
CID 141301927
3-(2,6-difluoroanilino)propan-1-ol;ethane
CID 156637319
2,4,5-trifluoro-N-(3-phenylpropyl)aniline
CID 55118204
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-phenylbutyl)aniline?
The IUPAC name of 2,6-difluoro-N-(4-phenylbutyl)aniline (CID 114333174) is 2,6-difluoro-N-(4-phenylbutyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(4-phenylbutyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(4-phenylbutyl)aniline is Fc1cccc(F)c1NCCCCc1ccccc1.
What is the InChIKey of 2,6-difluoro-N-(4-phenylbutyl)aniline?
The InChIKey is OOWZQUYWFCHPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c17-14-10-6-11-15(18)16(14)19-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11,19H,4-5,9,12H2.
What are the key properties of 2,6-difluoro-N-(4-phenylbutyl)aniline?
2,6-difluoro-N-(4-phenylbutyl)aniline has a molecular weight of 261.32 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-phenylbutyl)aniline is sourced from PubChem (CID 114333174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).