1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine

C15H21N3O2 — CID 62351977

IUPAC1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
SMILESCOc1ccc(C(N)Cn2cnc(C)c2C)cc1OC
InChIInChI=1S/C15H21N3O2/c1-10-11(2)18(9-17-10)8-13(16)12-5-6-14(19-3)15(7-12)20-4/h5-7,9,13H,8,16H2,1-4H3
InChIKeyRGURRTOQHQQKST-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.22
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine

1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine (PubChem CID 62351977) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
PubChem CID62351977
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
SMILESCOc1ccc(C(N)Cn2cnc(C)c2C)cc1OC
InChIInChI=1S/C15H21N3O2/c1-10-11(2)18(9-17-10)8-13(16)12-5-6-14(19-3)15(7-12)20-4/h5-7,9,13H,8,16H2,1-4H3
InChIKeyRGURRTOQHQQKST-UHFFFAOYSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine 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-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 62350731
3-amino-3-(3,4-dimethoxyphenyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide;dihydrochloride
CID 154910813
2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine
CID 62350029
2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine
CID 62350551
1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-one
CID 63205792
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
1-(4,5-dimethylimidazol-1-yl)butan-2-amine
CID 62350728
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol
CID 62349908
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine (CID 62351977) is 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine is COc1ccc(C(N)Cn2cnc(C)c2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The InChIKey is RGURRTOQHQQKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-11(2)18(9-17-10)8-13(16)12-5-6-14(19-3)15(7-12)20-4/h5-7,9,13H,8,16H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.22, 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-(4,5-dimethylimidazol-1-yl)ethanamine is sourced from PubChem (CID 62351977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).