1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine

C15H21N3 — CID 63815027

IUPAC1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
SMILESCCc1nccn1-c1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C15H21N3/c1-4-15-17-7-8-18(15)14-6-5-13(10-12(3)16)11(2)9-14/h5-9,12H,4,10,16H2,1-3H3
InChIKeyKQLMVTKCSGYOJS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.63
Rot. Bonds4

About 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine

1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine (PubChem CID 63815027) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
PubChem CID63815027
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
SMILESCCc1nccn1-c1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C15H21N3/c1-4-15-17-7-8-18(15)14-6-5-13(10-12(3)16)11(2)9-14/h5-9,12H,4,10,16H2,1-3H3
InChIKeyKQLMVTKCSGYOJS-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62129142
1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine
CID 63941358
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63817111
1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]propan-2-amine
CID 114061019
1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817668
1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503923
2-amino-5-(2-ethylimidazol-1-yl)benzoic acid
CID 54979963
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63814999
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine (CID 63815027) is 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine is CCc1nccn1-c1ccc(CC(C)N)c(C)c1.
What is the InChIKey of 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine?
The InChIKey is KQLMVTKCSGYOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-15-17-7-8-18(15)14-6-5-13(10-12(3)16)11(2)9-14/h5-9,12H,4,10,16H2,1-3H3.
What are the key properties of 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine?
1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine is sourced from PubChem (CID 63815027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).