1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine

C14H19N3O — CID 106261741

IUPAC1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
SMILESCOc1ccccc1CCn1cncc1C(C)N
InChIInChI=1S/C14H19N3O/c1-11(15)13-9-16-10-17(13)8-7-12-5-3-4-6-14(12)18-2/h3-6,9-11H,7-8,15H2,1-2H3
InChIKeyOBXVEANOAGUSKX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.15
Rot. Bonds5

About 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine

1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 106261741) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
PubChem CID106261741
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
SMILESCOc1ccccc1CCn1cncc1C(C)N
InChIInChI=1S/C14H19N3O/c1-11(15)13-9-16-10-17(13)8-7-12-5-3-4-6-14(12)18-2/h3-6,9-11H,7-8,15H2,1-2H3
InChIKeyOBXVEANOAGUSKX-UHFFFAOYSA-N
XLogP2.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 106261724
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
3-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 106261736
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716681
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 114703081
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine
CID 104942948

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine (CID 106261741) is 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine is COc1ccccc1CCn1cncc1C(C)N.
What is the InChIKey of 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is OBXVEANOAGUSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(15)13-9-16-10-17(13)8-7-12-5-3-4-6-14(12)18-2/h3-6,9-11H,7-8,15H2,1-2H3.
What are the key properties of 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine?
1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106261741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).