2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine

C13H14FN3O — CID 107700331

IUPAC2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCc1ncccn1
InChIInChI=1S/C13H14FN3O/c14-11-2-3-12(10(8-11)4-5-15)18-9-13-16-6-1-7-17-13/h1-3,6-8H,4-5,9,15H2
InChIKeyATAYEPGIUJYCLP-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.70
Rot. Bonds5

About 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine

2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine (PubChem CID 107700331) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
PubChem CID107700331
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCc1ncccn1
InChIInChI=1S/C13H14FN3O/c14-11-2-3-12(10(8-11)4-5-15)18-9-13-16-6-1-7-17-13/h1-3,6-8H,4-5,9,15H2
InChIKeyATAYEPGIUJYCLP-UHFFFAOYSA-N
XLogP1.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
2-[5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107700457
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188
2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 107699954
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 107700478
2-[5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 107700392
2-[5-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 107700166
2-[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 107700337
2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700439

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine (CID 107700331) is 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine is NCCc1cc(F)ccc1OCc1ncccn1.
What is the InChIKey of 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is ATAYEPGIUJYCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-2-3-12(10(8-11)4-5-15)18-9-13-16-6-1-7-17-13/h1-3,6-8H,4-5,9,15H2.
What are the key properties of 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine?
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 247.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 107700331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).