1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine

C15H15F2NO — CID 43561226

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-19-12-6-7-13(14(17)9-12)15(18)8-10-2-4-11(16)5-3-10/h2-7,9,15H,8,18H2,1H3
InChIKeyOHRKNTACWRMLDF-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.22
Rot. Bonds4

About 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine

1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 43561226) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID43561226
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-19-12-6-7-13(14(17)9-12)15(18)8-10-2-4-11(16)5-3-10/h2-7,9,15H,8,18H2,1H3
InChIKeyOHRKNTACWRMLDF-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443286
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067518
1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine (CID 43561226) is 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine is COc1ccc(C(N)Cc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is OHRKNTACWRMLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-19-12-6-7-13(14(17)9-12)15(18)8-10-2-4-11(16)5-3-10/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine?
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43561226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).