2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine

C14H19N3 — CID 82895312

IUPAC2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine
SMILESCc1cccc(C)c1CC(N)c1cncn1C
InChIInChI=1S/C14H19N3/c1-10-5-4-6-11(2)12(10)7-13(15)14-8-16-9-17(14)3/h4-6,8-9,13H,7,15H2,1-3H3
InChIKeyCEOYSSAKPJQOFM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.28
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine

2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 82895312) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID82895312
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine
SMILESCc1cccc(C)c1CC(N)c1cncn1C
InChIInChI=1S/C14H19N3/c1-10-5-4-6-11(2)12(10)7-13(15)14-8-16-9-17(14)3/h4-6,8-9,13H,7,15H2,1-3H3
InChIKeyCEOYSSAKPJQOFM-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine (CID 82895312) is 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine is Cc1cccc(C)c1CC(N)c1cncn1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is CEOYSSAKPJQOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-4-6-11(2)12(10)7-13(15)14-8-16-9-17(14)3/h4-6,8-9,13H,7,15H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine?
2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 82895312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).