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

C13H17N3O2 — CID 63325788

IUPAC2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCc2nnc(C)o2)c(CCN)c1
InChIInChI=1S/C13H17N3O2/c1-9-3-4-12(11(7-9)5-6-14)17-8-13-16-15-10(2)18-13/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyXAAKBOLALQCMDF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.77
Rot. Bonds5

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

2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 63325788) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID63325788
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCc2nnc(C)o2)c(CCN)c1
InChIInChI=1S/C13H17N3O2/c1-9-3-4-12(11(7-9)5-6-14)17-8-13-16-15-10(2)18-13/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyXAAKBOLALQCMDF-UHFFFAOYSA-N
XLogP1.77
TPSA74.17 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936260
2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63326402
2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 55201494
2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 54930553
1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60883695
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
4-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzoic acid
CID 60651733
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 54929392
2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]ethanamine
CID 79799511
2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655539

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (CID 63325788) is 2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is Cc1ccc(OCc2nnc(C)o2)c(CCN)c1.
What is the InChIKey of 2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is XAAKBOLALQCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-3-4-12(11(7-9)5-6-14)17-8-13-16-15-10(2)18-13/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of 2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63325788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).