1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine

C15H20FN3O — CID 107457780

IUPAC1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H20FN3O/c1-10-15(11(2)19(4)18-10)20-9-13-7-12(8-17-3)5-6-14(13)16/h5-7,17H,8-9H2,1-4H3
InChIKeyZYSALEJXKFLLER-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.47
Rot. Bonds5

About 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine

1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine (PubChem CID 107457780) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine
PubChem CID107457780
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H20FN3O/c1-10-15(11(2)19(4)18-10)20-9-13-7-12(8-17-3)5-6-14(13)16/h5-7,17H,8-9H2,1-4H3
InChIKeyZYSALEJXKFLLER-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 107457779
1-[3-bromo-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine
CID 102773751
1-[3-[(4,5-dimethylimidazol-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107456554
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-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 81154804
1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457271
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-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457483
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine (CID 107457780) is 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine is CNCc1ccc(F)c(COc2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine?
The InChIKey is ZYSALEJXKFLLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10-15(11(2)19(4)18-10)20-9-13-7-12(8-17-3)5-6-14(13)16/h5-7,17H,8-9H2,1-4H3.
What are the key properties of 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine?
1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107457780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).