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

C14H19N3 — CID 82288563

IUPAC2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine
SMILESCc1ccc(-c2cn(CCN)c(C)n2)cc1C
InChIInChI=1S/C14H19N3/c1-10-4-5-13(8-11(10)2)14-9-17(7-6-15)12(3)16-14/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyYRGZLDANGCTMFI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.43
Rot. Bonds3

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

2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine (PubChem CID 82288563) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine
PubChem CID82288563
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine
SMILESCc1ccc(-c2cn(CCN)c(C)n2)cc1C
InChIInChI=1S/C14H19N3/c1-10-4-5-13(8-11(10)2)14-9-17(7-6-15)12(3)16-14/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyYRGZLDANGCTMFI-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine (CID 82288563) is 2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine is Cc1ccc(-c2cn(CCN)c(C)n2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine?
The InChIKey is YRGZLDANGCTMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-4-5-13(8-11(10)2)14-9-17(7-6-15)12(3)16-14/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine?
2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine is sourced from PubChem (CID 82288563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).