1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine

C12H14FN3O2 — CID 112608818

IUPAC1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCc1nonc1C
InChIInChI=1S/C12H14FN3O2/c1-8-11(16-18-15-8)7-17-12-9(6-14-2)4-3-5-10(12)13/h3-5,14H,6-7H2,1-2H3
InChIKeyFJWGFUVWCGYREP-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.82
Rot. Bonds5

About 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine

1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 112608818) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID112608818
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCc1nonc1C
InChIInChI=1S/C12H14FN3O2/c1-8-11(16-18-15-8)7-17-12-9(6-14-2)4-3-5-10(12)13/h3-5,14H,6-7H2,1-2H3
InChIKeyFJWGFUVWCGYREP-UHFFFAOYSA-N
XLogP1.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115954557
N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954921
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 104796464
1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952543
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
1-[3-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608849
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952558
4-fluoro-3-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 115952532
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
CID 112608765
4-fluoro-2-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107902742

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine (CID 112608818) is 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(F)c1OCc1nonc1C.
What is the InChIKey of 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is FJWGFUVWCGYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-8-11(16-18-15-8)7-17-12-9(6-14-2)4-3-5-10(12)13/h3-5,14H,6-7H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 251.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).