1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine

C15H20FN3O — CID 62984925

IUPAC1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
SMILESCNCc1cc(CN(C)C(C)c2ccccc2F)on1
InChIInChI=1S/C15H20FN3O/c1-11(14-6-4-5-7-15(14)16)19(3)10-13-8-12(9-17-2)18-20-13/h4-8,11,17H,9-10H2,1-3H3
InChIKeyLIRRSCSLFXOATM-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.73
Rot. Bonds6

About 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine

1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine (PubChem CID 62984925) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
PubChem CID62984925
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
SMILESCNCc1cc(CN(C)C(C)c2ccccc2F)on1
InChIInChI=1S/C15H20FN3O/c1-11(14-6-4-5-7-15(14)16)19(3)10-13-8-12(9-17-2)18-20-13/h4-8,11,17H,9-10H2,1-3H3
InChIKeyLIRRSCSLFXOATM-UHFFFAOYSA-N
XLogP2.73
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985100
N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine
CID 55073917
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-4-amine
CID 79250925
N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 78897575
N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62423371
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 97186769
1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62458220
N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62462339
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 63457680

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine (CID 62984925) is 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine is CNCc1cc(CN(C)C(C)c2ccccc2F)on1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine?
The InChIKey is LIRRSCSLFXOATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11(14-6-4-5-7-15(14)16)19(3)10-13-8-12(9-17-2)18-20-13/h4-8,11,17H,9-10H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine?
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62984925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).