2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine

C15H15F2NO — CID 107656314

IUPAC2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
SMILESCc1cccc(OC(CN)c2ccc(F)cc2)c1F
InChIInChI=1S/C15H15F2NO/c1-10-3-2-4-13(15(10)17)19-14(9-18)11-5-7-12(16)8-6-11/h2-8,14H,9,18H2,1H3
InChIKeyOFSACQKWXSUTFZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.35
Rot. Bonds4

About 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine

2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine (PubChem CID 107656314) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
PubChem CID107656314
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
SMILESCc1cccc(OC(CN)c2ccc(F)cc2)c1F
InChIInChI=1S/C15H15F2NO/c1-10-3-2-4-13(15(10)17)19-14(9-18)11-5-7-12(16)8-6-11/h2-8,14H,9,18H2,1H3
InChIKeyOFSACQKWXSUTFZ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine (CID 107656314) is 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine is Cc1cccc(OC(CN)c2ccc(F)cc2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine?
The InChIKey is OFSACQKWXSUTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-3-2-4-13(15(10)17)19-14(9-18)11-5-7-12(16)8-6-11/h2-8,14H,9,18H2,1H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine?
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 107656314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).