2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine

C15H14F3NO — CID 107700281

IUPAC2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C15H14F3NO/c16-12-1-3-14(18)11(8-12)9-20-15-4-2-13(17)7-10(15)5-6-19/h1-4,7-8H,5-6,9,19H2
InChIKeyYIDNUGXXKGPTBO-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.18
Rot. Bonds5

About 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine

2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine (PubChem CID 107700281) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
PubChem CID107700281
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C15H14F3NO/c16-12-1-3-14(18)11(8-12)9-20-15-4-2-13(17)7-10(15)5-6-19/h1-4,7-8H,5-6,9,19H2
InChIKeyYIDNUGXXKGPTBO-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
2-[[2-(2-aminoethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906833
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 107700478
4-[[2-(2-aminoethyl)-4-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 107700296
2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
4-[[2-(2-aminoethyl)-4-fluorophenoxy]methyl]-3-methylbenzonitrile
CID 107699998
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188
2-[5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 107700392

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine (CID 107700281) is 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1OCc1cc(F)ccc1F.
What is the InChIKey of 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
The InChIKey is YIDNUGXXKGPTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-12-1-3-14(18)11(8-12)9-20-15-4-2-13(17)7-10(15)5-6-19/h1-4,7-8H,5-6,9,19H2.
What are the key properties of 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine is sourced from PubChem (CID 107700281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).