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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Related Compounds

4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
CID 82895858
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102804306
1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 82895393
1-(3-methylimidazol-4-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050777
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105174686
(3-methylimidazol-4-yl)-(4-methyl-3-pyridinyl)methanamine
CID 82895955
1-(3-methylimidazol-4-yl)oct-7-en-1-amine
CID 107009628
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706929
[1-(3-methylimidazol-4-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105264611
2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117772

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).