1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C14H19N3O3 — CID 61014465

IUPAC1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2nc(C)no2)cc1OC
InChIInChI=1S/C14H19N3O3/c1-9(15-8-14-16-10(2)17-20-14)11-5-6-12(18-3)13(7-11)19-4/h5-7,9,15H,8H2,1-4H3
InChIKeyPWYWQIHUZUQAEM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.25
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 61014465) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID61014465
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2nc(C)no2)cc1OC
InChIInChI=1S/C14H19N3O3/c1-9(15-8-14-16-10(2)17-20-14)11-5-6-12(18-3)13(7-11)19-4/h5-7,9,15H,8H2,1-4H3
InChIKeyPWYWQIHUZUQAEM-UHFFFAOYSA-N
XLogP2.25
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 54903560
1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014584
1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014859
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80711317
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 54903276
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102834807
N-ethyl-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 60882299
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103912882
1-(2-methoxy-5-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903130
N-[(4-bromothiophen-2-yl)methyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 60961440
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 61014465) is 1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is COc1ccc(C(C)NCc2nc(C)no2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is PWYWQIHUZUQAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(15-8-14-16-10(2)17-20-14)11-5-6-12(18-3)13(7-11)19-4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 277.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 61014465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).