2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine

C14H19N3 — CID 62443341

IUPAC2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine
SMILESCCc1nccn1C(CNC)c1ccccc1
InChIInChI=1S/C14H19N3/c1-3-14-16-9-10-17(14)13(11-15-2)12-7-5-4-6-8-12/h4-10,13,15H,3,11H2,1-2H3
InChIKeyPVYQZWXCFOSACZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.25
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine

2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine (PubChem CID 62443341) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine
PubChem CID62443341
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine
SMILESCCc1nccn1C(CNC)c1ccccc1
InChIInChI=1S/C14H19N3/c1-3-14-16-9-10-17(14)13(11-15-2)12-7-5-4-6-8-12/h4-10,13,15H,3,11H2,1-2H3
InChIKeyPVYQZWXCFOSACZ-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine (CID 62443341) is 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine is CCc1nccn1C(CNC)c1ccccc1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine?
The InChIKey is PVYQZWXCFOSACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-14-16-9-10-17(14)13(11-15-2)12-7-5-4-6-8-12/h4-10,13,15H,3,11H2,1-2H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine?
2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 62443341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).