1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine

C17H20FNO2 — CID 107457271

IUPAC1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCCOc1ccc(OCc2cc(CNC)ccc2F)cc1
InChIInChI=1S/C17H20FNO2/c1-3-20-15-5-7-16(8-6-15)21-12-14-10-13(11-19-2)4-9-17(14)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeySMZLCWJKJAMCTF-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.52
Rot. Bonds7

About 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine

1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine (PubChem CID 107457271) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
PubChem CID107457271
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCCOc1ccc(OCc2cc(CNC)ccc2F)cc1
InChIInChI=1S/C17H20FNO2/c1-3-20-15-5-7-16(8-6-15)21-12-14-10-13(11-19-2)4-9-17(14)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeySMZLCWJKJAMCTF-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393
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
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 107457220
1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine
CID 107457780

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine (CID 107457271) is 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine is CCOc1ccc(OCc2cc(CNC)ccc2F)cc1.
What is the InChIKey of 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is SMZLCWJKJAMCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-20-15-5-7-16(8-6-15)21-12-14-10-13(11-19-2)4-9-17(14)18/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107457271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).