2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine

C16H18FNO2 — CID 107700188

IUPAC2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCCOc1ccccc1
InChIInChI=1S/C16H18FNO2/c17-14-6-7-16(13(12-14)8-9-18)20-11-10-19-15-4-2-1-3-5-15/h1-7,12H,8-11,18H2
InChIKeyYXHNRSBBFBSRFZ-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.78
Rot. Bonds7

About 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine

2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine (PubChem CID 107700188) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
PubChem CID107700188
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCCOc1ccccc1
InChIInChI=1S/C16H18FNO2/c17-14-6-7-16(13(12-14)8-9-18)20-11-10-19-15-4-2-1-3-5-15/h1-7,12H,8-11,18H2
InChIKeyYXHNRSBBFBSRFZ-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 107699954
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
CID 63815036
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572
2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
CID 60971172
4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
CID 107700545
2-(2-ethyl-4-fluorophenoxy)ethanamine
CID 152850030
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
CID 43254007
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine (CID 107700188) is 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine is NCCc1cc(F)ccc1OCCOc1ccccc1.
What is the InChIKey of 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine?
The InChIKey is YXHNRSBBFBSRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-14-6-7-16(13(12-14)8-9-18)20-11-10-19-15-4-2-1-3-5-15/h1-7,12H,8-11,18H2.
What are the key properties of 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine?
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 107700188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).