2-fluoro-N-(2-phenoxybutyl)aniline

C16H18FNO — CID 54798251

IUPAC2-fluoro-N-(2-phenoxybutyl)aniline
SMILESCCC(CNc1ccccc1F)Oc1ccccc1
InChIInChI=1S/C16H18FNO/c1-2-13(19-14-8-4-3-5-9-14)12-18-16-11-7-6-10-15(16)17/h3-11,13,18H,2,12H2,1H3
InChIKeyKLBDUKSFUQMOTR-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.10
Rot. Bonds6

About 2-fluoro-N-(2-phenoxybutyl)aniline

2-fluoro-N-(2-phenoxybutyl)aniline (PubChem CID 54798251) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenoxybutyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-phenoxybutyl)aniline
PubChem CID54798251
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-fluoro-N-(2-phenoxybutyl)aniline
SMILESCCC(CNc1ccccc1F)Oc1ccccc1
InChIInChI=1S/C16H18FNO/c1-2-13(19-14-8-4-3-5-9-14)12-18-16-11-7-6-10-15(16)17/h3-11,13,18H,2,12H2,1H3
InChIKeyKLBDUKSFUQMOTR-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-phenoxybutyl)aniline?
The IUPAC name of 2-fluoro-N-(2-phenoxybutyl)aniline (CID 54798251) is 2-fluoro-N-(2-phenoxybutyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2-phenoxybutyl)aniline?
The canonical SMILES for 2-fluoro-N-(2-phenoxybutyl)aniline is CCC(CNc1ccccc1F)Oc1ccccc1.
What is the InChIKey of 2-fluoro-N-(2-phenoxybutyl)aniline?
The InChIKey is KLBDUKSFUQMOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-13(19-14-8-4-3-5-9-14)12-18-16-11-7-6-10-15(16)17/h3-11,13,18H,2,12H2,1H3.
What are the key properties of 2-fluoro-N-(2-phenoxybutyl)aniline?
2-fluoro-N-(2-phenoxybutyl)aniline has a molecular weight of 259.32 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenoxybutyl)aniline is sourced from PubChem (CID 54798251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).