1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine

C13H20FNO2 — CID 107457726

IUPAC1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COC(C)COC)c1
InChIInChI=1S/C13H20FNO2/c1-10(8-16-3)17-9-12-6-11(7-15-2)4-5-13(12)14/h4-6,10,15H,7-9H2,1-3H3
InChIKeyZOSRCKADCFDCOX-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.10
Rot. Bonds7

About 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine

1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine (PubChem CID 107457726) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine
PubChem CID107457726
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COC(C)COC)c1
InChIInChI=1S/C13H20FNO2/c1-10(8-16-3)17-9-12-6-11(7-15-2)4-5-13(12)14/h4-6,10,15H,7-9H2,1-3H3
InChIKeyZOSRCKADCFDCOX-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine
CID 107458020
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 107454826
N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 107457998
1-[3-[(3,4-difluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457584
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393
1-[3-(but-3-enoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107456756
1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457271
1-(4-fluoro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 63887333
N-[[3-bromo-4-(1-methoxypropan-2-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 102773637
1-[3-[(3-bromo-4-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457922
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457986
1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine
CID 62019677

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine (CID 107457726) is 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine is CNCc1ccc(F)c(COC(C)COC)c1.
What is the InChIKey of 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine?
The InChIKey is ZOSRCKADCFDCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(8-16-3)17-9-12-6-11(7-15-2)4-5-13(12)14/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine?
1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107457726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).