2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine

C13H17N3O2 — CID 96662978

IUPAC2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
SMILESCOc1ccc(OC)c(-n2cnc(CCN)c2)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-3-4-13(18-2)12(7-11)16-8-10(5-6-14)15-9-16/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyUQIOUXSBKKBNEG-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.39
Rot. Bonds5

About 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine

2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine (PubChem CID 96662978) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
PubChem CID96662978
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
SMILESCOc1ccc(OC)c(-n2cnc(CCN)c2)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-3-4-13(18-2)12(7-11)16-8-10(5-6-14)15-9-16/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyUQIOUXSBKKBNEG-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
CID 82475495
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 95467377
[1-(2-methoxyphenyl)imidazol-4-yl]methanamine
CID 82469793
2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982978
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 79982447
N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine
CID 114204311
N-[2-[1-(5-fluoro-2-methoxyphenyl)imidazol-4-yl]ethyl]acetamide
CID 50951321
[4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 112532386
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine (CID 96662978) is 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine is COc1ccc(OC)c(-n2cnc(CCN)c2)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine?
The InChIKey is UQIOUXSBKKBNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-3-4-13(18-2)12(7-11)16-8-10(5-6-14)15-9-16/h3-4,7-9H,5-6,14H2,1-2H3.
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine?
2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 96662978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).