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

C14H19N3O2 — CID 95467377

IUPAC2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCOc1ccc(OC)c(Cn2cnc(CCN)c2)c1
InChIInChI=1S/C14H19N3O2/c1-18-13-3-4-14(19-2)11(7-13)8-17-9-12(5-6-15)16-10-17/h3-4,7,9-10H,5-6,8,15H2,1-2H3
InChIKeyJQGXUNYWJHSZNP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.45
Rot. Bonds6

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

2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 95467377) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
PubChem CID95467377
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCOc1ccc(OC)c(Cn2cnc(CCN)c2)c1
InChIInChI=1S/C14H19N3O2/c1-18-13-3-4-14(19-2)11(7-13)8-17-9-12(5-6-15)16-10-17/h3-4,7,9-10H,5-6,8,15H2,1-2H3
InChIKeyJQGXUNYWJHSZNP-UHFFFAOYSA-N
XLogP1.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982978
2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 96662978
2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 79982447
1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721192
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
N-[[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719574
1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721100
[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
CID 82475495
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719299
2-[1-(methoxymethyl)imidazol-4-yl]ethanamine
CID 106720976
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79982620

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine (CID 95467377) is 2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine is COc1ccc(OC)c(Cn2cnc(CCN)c2)c1.
What is the InChIKey of 2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is JQGXUNYWJHSZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-13-3-4-14(19-2)11(7-13)8-17-9-12(5-6-15)16-10-17/h3-4,7,9-10H,5-6,8,15H2,1-2H3.
What are the key properties of 2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine?
2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.45, 6 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)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 95467377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).