2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine

C12H15N3O — CID 82285156

IUPAC2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1nc[nH]c1CCN
InChIInChI=1S/C12H15N3O/c1-16-11-5-3-2-4-9(11)12-10(6-7-13)14-8-15-12/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyGHBHAHSBUPUBMX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.59
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine

2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 82285156) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID82285156
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1nc[nH]c1CCN
InChIInChI=1S/C12H15N3O/c1-16-11-5-3-2-4-9(11)12-10(6-7-13)14-8-15-12/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyGHBHAHSBUPUBMX-UHFFFAOYSA-N
XLogP1.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine (CID 82285156) is 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine is COc1ccccc1-c1nc[nH]c1CCN.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is GHBHAHSBUPUBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-11-5-3-2-4-9(11)12-10(6-7-13)14-8-15-12/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 82285156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).