N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine

C13H17N3O2 — CID 63639606

IUPACN-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESCNC(C)c1ccc(C)cc1OCc1ncon1
InChIInChI=1S/C13H17N3O2/c1-9-4-5-11(10(2)14-3)12(6-9)17-7-13-15-8-18-16-13/h4-6,8,10,14H,7H2,1-3H3
InChIKeyGCUSOIYDJRCAER-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.24
Rot. Bonds5

About N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine

N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (PubChem CID 63639606) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
PubChem CID63639606
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESCNC(C)c1ccc(C)cc1OCc1ncon1
InChIInChI=1S/C13H17N3O2/c1-9-4-5-11(10(2)14-3)12(6-9)17-7-13-15-8-18-16-13/h4-6,8,10,14H,7H2,1-3H3
InChIKeyGCUSOIYDJRCAER-UHFFFAOYSA-N
XLogP2.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60887882
(1R)-1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 78936809
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
CID 107716494
N-[1-[4-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82000947
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
CID 63640120
1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 105370352
N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 63638936
2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 55201494
1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone
CID 43394142
1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63640460
N-[1-[4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63640130

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (CID 63639606) is N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is CNC(C)c1ccc(C)cc1OCc1ncon1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is GCUSOIYDJRCAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-4-5-11(10(2)14-3)12(6-9)17-7-13-15-8-18-16-13/h4-6,8,10,14H,7H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 63639606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).