1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine

C13H17N3O2 — CID 16641649

IUPAC1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
SMILESCOc1ccc(C(N)Cn2ccnc2)cc1OC
InChIInChI=1S/C13H17N3O2/c1-17-12-4-3-10(7-13(12)18-2)11(14)8-16-6-5-15-9-16/h3-7,9,11H,8,14H2,1-2H3
InChIKeyZUJRGIHNKYQOKY-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.60
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine

1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine (PubChem CID 16641649) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
PubChem CID16641649
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
SMILESCOc1ccc(C(N)Cn2ccnc2)cc1OC
InChIInChI=1S/C13H17N3O2/c1-17-12-4-3-10(7-13(12)18-2)11(14)8-16-6-5-15-9-16/h3-7,9,11H,8,14H2,1-2H3
InChIKeyZUJRGIHNKYQOKY-UHFFFAOYSA-N
XLogP1.60
TPSA62.30 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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine 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

2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749824
2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16786819
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-imidazol-1-ylethanamine
CID 16641652
1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62351977
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43791944
2-imidazol-1-yl-1-thiophen-3-ylethanamine
CID 130835014
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine (CID 16641649) is 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine is COc1ccc(C(N)Cn2ccnc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine?
The InChIKey is ZUJRGIHNKYQOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-12-4-3-10(7-13(12)18-2)11(14)8-16-6-5-15-9-16/h3-7,9,11H,8,14H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine?
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine is sourced from PubChem (CID 16641649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).