1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine

C15H21N3O2 — CID 106555784

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H21N3O2/c1-11-10-18(15(16-2)17-11)8-7-12-5-6-13(19-3)14(9-12)20-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,17)
InChIKeyMORYOWOUTVPZJF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.49
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine

1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine (PubChem CID 106555784) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine
PubChem CID106555784
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H21N3O2/c1-11-10-18(15(16-2)17-11)8-7-12-5-6-13(19-3)14(9-12)20-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,17)
InChIKeyMORYOWOUTVPZJF-UHFFFAOYSA-N
XLogP2.49
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine
CID 106564087
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 19603658
6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 944065
1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106557413
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
1-[2-(3,4-dimethoxyphenyl)ethyl]imidazole-2-carbonitrile
CID 167905632
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172656387
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 12862337
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-bis(trimethylsilyloxy)pyrrolidine-2,5-dione
CID 11236001

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine (CID 106555784) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine?
The InChIKey is MORYOWOUTVPZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-10-18(15(16-2)17-11)8-7-12-5-6-13(19-3)14(9-12)20-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine?
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106555784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).