1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine

C14H19N3 — CID 79170583

IUPAC1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
SMILESCCCc1nccn1-c1cccc(C(C)N)c1
InChIInChI=1S/C14H19N3/c1-3-5-14-16-8-9-17(14)13-7-4-6-12(10-13)11(2)15/h4,6-11H,3,5,15H2,1-2H3
InChIKeyXOUMYBYJFLCHAJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.84
Rot. Bonds4

About 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine

1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine (PubChem CID 79170583) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
PubChem CID79170583
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
SMILESCCCc1nccn1-c1cccc(C(C)N)c1
InChIInChI=1S/C14H19N3/c1-3-5-14-16-8-9-17(14)13-7-4-6-12(10-13)11(2)15/h4,6-11H,3,5,15H2,1-2H3
InChIKeyXOUMYBYJFLCHAJ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine (CID 79170583) is 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine is CCCc1nccn1-c1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine?
The InChIKey is XOUMYBYJFLCHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-5-14-16-8-9-17(14)13-7-4-6-12(10-13)11(2)15/h4,6-11H,3,5,15H2,1-2H3.
What are the key properties of 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine?
1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 79170583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).