1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine

C14H19N3 — CID 63941358

IUPAC1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine
SMILESCCc1nccn1-c1cccc(CC(C)N)c1
InChIInChI=1S/C14H19N3/c1-3-14-16-7-8-17(14)13-6-4-5-12(10-13)9-11(2)15/h4-8,10-11H,3,9,15H2,1-2H3
InChIKeyRIYVMDHALWAYPG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.32
Rot. Bonds4

About 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine

1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine (PubChem CID 63941358) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine
PubChem CID63941358
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine
SMILESCCc1nccn1-c1cccc(CC(C)N)c1
InChIInChI=1S/C14H19N3/c1-3-14-16-7-8-17(14)13-6-4-5-12(10-13)9-11(2)15/h4-8,10-11H,3,9,15H2,1-2H3
InChIKeyRIYVMDHALWAYPG-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine
CID 63941357
1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63815027
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
CID 79170583
1-[3-(chloromethyl)phenyl]-2-propylimidazole
CID 112594438
1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817668
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
CID 63942141
N-[[4-(2-ethylimidazol-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62129142
2-amino-5-(2-ethylimidazol-1-yl)benzoic acid
CID 54979963
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
CID 113358871
1-[2-(2-ethylimidazol-1-yl)pyrimidin-5-yl]butan-2-amine
CID 113388579

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine (CID 63941358) is 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine is CCc1nccn1-c1cccc(CC(C)N)c1.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine?
The InChIKey is RIYVMDHALWAYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-14-16-7-8-17(14)13-6-4-5-12(10-13)9-11(2)15/h4-8,10-11H,3,9,15H2,1-2H3.
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine?
1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63941358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).