5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine

C13H18N4O2 — CID 106970851

IUPAC5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1CN(C)c1nnc(CCN)o1
InChIInChI=1S/C13H18N4O2/c1-17(13-16-15-12(19-13)7-8-14)9-10-5-3-4-6-11(10)18-2/h3-6H,7-9,14H2,1-2H3
InChIKeySNOWFBKIEGPMMV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.22
Rot. Bonds6

About 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106970851) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106970851
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1CN(C)c1nnc(CCN)o1
InChIInChI=1S/C13H18N4O2/c1-17(13-16-15-12(19-13)7-8-14)9-10-5-3-4-6-11(10)18-2/h3-6H,7-9,14H2,1-2H3
InChIKeySNOWFBKIEGPMMV-UHFFFAOYSA-N
XLogP1.22
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970850
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970855
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
5-(2-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970572
2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069714
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630731
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 94258994
2-[(2-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbothioamide
CID 107546787
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162382
3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide
CID 42241082

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106970851) is 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is COc1ccccc1CN(C)c1nnc(CCN)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is SNOWFBKIEGPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17(13-16-15-12(19-13)7-8-14)9-10-5-3-4-6-11(10)18-2/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).