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

C13H17N3 — CID 63941357

IUPAC2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine
SMILESCCc1nccn1-c1cccc(CCN)c1
InChIInChI=1S/C13H17N3/c1-2-13-15-8-9-16(13)12-5-3-4-11(10-12)6-7-14/h3-5,8-10H,2,6-7,14H2,1H3
InChIKeyOAZULFQQEUONCM-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.94
Rot. Bonds4

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

2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine (PubChem CID 63941357) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine
PubChem CID63941357
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine
SMILESCCc1nccn1-c1cccc(CCN)c1
InChIInChI=1S/C13H17N3/c1-2-13-15-8-9-16(13)12-5-3-4-11(10-12)6-7-14/h3-5,8-10H,2,6-7,14H2,1H3
InChIKeyOAZULFQQEUONCM-UHFFFAOYSA-N
XLogP1.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine (CID 63941357) is 2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine is CCc1nccn1-c1cccc(CCN)c1.
What is the InChIKey of 2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine?
The InChIKey is OAZULFQQEUONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-13-15-8-9-16(13)12-5-3-4-11(10-12)6-7-14/h3-5,8-10H,2,6-7,14H2,1H3.
What are the key properties of 2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine?
2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63941357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).