1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

C15H15F2NO — CID 107457393

IUPAC1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COc2ccc(F)cc2)c1
InChIInChI=1S/C15H15F2NO/c1-18-9-11-2-7-15(17)12(8-11)10-19-14-5-3-13(16)4-6-14/h2-8,18H,9-10H2,1H3
InChIKeyXRWXLFNIUKUXPZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.26
Rot. Bonds5

About 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 107457393) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID107457393
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COc2ccc(F)cc2)c1
InChIInChI=1S/C15H15F2NO/c1-18-9-11-2-7-15(17)12(8-11)10-19-14-5-3-13(16)4-6-14/h2-8,18H,9-10H2,1H3
InChIKeyXRWXLFNIUKUXPZ-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457271
1-[3-[(3,4-difluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457584
1-[3-[(3-bromo-4-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457922
1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457483
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457986
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
1-[3,5-dibromo-4-[(2,5-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741643
N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 107457220
1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60878936
1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine
CID 107457780
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 104791273

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (CID 107457393) is 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(F)c(COc2ccc(F)cc2)c1.
What is the InChIKey of 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is XRWXLFNIUKUXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-18-9-11-2-7-15(17)12(8-11)10-19-14-5-3-13(16)4-6-14/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107457393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).