2,6-difluoro-N-(3-phenoxypropyl)aniline

C15H15F2NO — CID 62937465

IUPAC2,6-difluoro-N-(3-phenoxypropyl)aniline
SMILESFc1cccc(F)c1NCCCOc1ccccc1
InChIInChI=1S/C15H15F2NO/c16-13-8-4-9-14(17)15(13)18-10-5-11-19-12-6-2-1-3-7-12/h1-4,6-9,18H,5,10-11H2
InChIKeyPDFHNWLENONDGR-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.85
Rot. Bonds6

About 2,6-difluoro-N-(3-phenoxypropyl)aniline

2,6-difluoro-N-(3-phenoxypropyl)aniline (PubChem CID 62937465) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-phenoxypropyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(3-phenoxypropyl)aniline
PubChem CID62937465
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2,6-difluoro-N-(3-phenoxypropyl)aniline
SMILESFc1cccc(F)c1NCCCOc1ccccc1
InChIInChI=1S/C15H15F2NO/c16-13-8-4-9-14(17)15(13)18-10-5-11-19-12-6-2-1-3-7-12/h1-4,6-9,18H,5,10-11H2
InChIKeyPDFHNWLENONDGR-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.85
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

N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline
CID 82096656
N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
2,6-difluoro-N-(3-methoxypropyl)aniline
CID 60926433
2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
2,6-difluoro-N-(4-phenylbutyl)aniline
CID 114333174
5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
CID 63488219
2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 62379839
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7186275
3-(chloromethyl)-N-(3-phenoxypropyl)aniline
CID 65024204
N-[3-(2,3-difluorophenoxy)propyl]aniline
CID 55143618
N-methyl-3-phenoxypropan-1-amine
CID 22067856

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-phenoxypropyl)aniline?
The IUPAC name of 2,6-difluoro-N-(3-phenoxypropyl)aniline (CID 62937465) is 2,6-difluoro-N-(3-phenoxypropyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(3-phenoxypropyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(3-phenoxypropyl)aniline is Fc1cccc(F)c1NCCCOc1ccccc1.
What is the InChIKey of 2,6-difluoro-N-(3-phenoxypropyl)aniline?
The InChIKey is PDFHNWLENONDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-13-8-4-9-14(17)15(13)18-10-5-11-19-12-6-2-1-3-7-12/h1-4,6-9,18H,5,10-11H2.
What are the key properties of 2,6-difluoro-N-(3-phenoxypropyl)aniline?
2,6-difluoro-N-(3-phenoxypropyl)aniline has a molecular weight of 263.29 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-phenoxypropyl)aniline is sourced from PubChem (CID 62937465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).