2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine

C13H17N3 — CID 115029288

IUPAC2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine
SMILESCCn1cncc1-c1ccccc1CCN
InChIInChI=1S/C13H17N3/c1-2-16-10-15-9-13(16)12-6-4-3-5-11(12)7-8-14/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyUQPAEVWUTZRZBQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.07
Rot. Bonds4

About 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine

2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine (PubChem CID 115029288) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine
PubChem CID115029288
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine
SMILESCCn1cncc1-c1ccccc1CCN
InChIInChI=1S/C13H17N3/c1-2-16-10-15-9-13(16)12-6-4-3-5-11(12)7-8-14/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyUQPAEVWUTZRZBQ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine
CID 115037440
2-[2-(3-ethylimidazol-4-yl)phenyl]acetic acid
CID 115037733
2-(3-ethylimidazol-4-yl)phenol
CID 67055650
2-(3-ethylimidazol-4-yl)benzoic acid
CID 115029530
5-(2-ethylphenyl)-1-phenylimidazole
CID 160833005
2-[1-ethyl-5-(2-fluorophenyl)pyrazol-3-yl]ethanamine
CID 105492850
2-(2-ethyl-3-methylindazol-4-yl)ethanamine
CID 84721665
4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole
CID 138691353
3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114716675
[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine
CID 66134078
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
2-(2-pyridin-2-ylphenyl)ethanamine
CID 22356817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine (CID 115029288) is 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine is CCn1cncc1-c1ccccc1CCN.
What is the InChIKey of 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine?
The InChIKey is UQPAEVWUTZRZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-16-10-15-9-13(16)12-6-4-3-5-11(12)7-8-14/h3-6,9-10H,2,7-8,14H2,1H3.
What are the key properties of 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine?
2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 115029288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).