1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine

C16H23N3 — CID 43211507

IUPAC1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
SMILESCc1ccc(C(N)Cn2ccnc2C(C)C)c(C)c1
InChIInChI=1S/C16H23N3/c1-11(2)16-18-7-8-19(16)10-15(17)14-6-5-12(3)9-13(14)4/h5-9,11,15H,10,17H2,1-4H3
InChIKeyZTEVAPFPGVNGMX-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine

1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine (PubChem CID 43211507) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
PubChem CID43211507
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
SMILESCc1ccc(C(N)Cn2ccnc2C(C)C)c(C)c1
InChIInChI=1S/C16H23N3/c1-11(2)16-18-7-8-19(16)10-15(17)14-6-5-12(3)9-13(14)4/h5-9,11,15H,10,17H2,1-4H3
InChIKeyZTEVAPFPGVNGMX-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine (CID 43211507) is 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine is Cc1ccc(C(N)Cn2ccnc2C(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The InChIKey is ZTEVAPFPGVNGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)16-18-7-8-19(16)10-15(17)14-6-5-12(3)9-13(14)4/h5-9,11,15H,10,17H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine is sourced from PubChem (CID 43211507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).