2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine

C13H17N3 — CID 82239450

IUPAC2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine
SMILESCCc1cnc(CC(N)c2ccccc2)[nH]1
InChIInChI=1S/C13H17N3/c1-2-11-9-15-13(16-11)8-12(14)10-6-4-3-5-7-10/h3-7,9,12H,2,8,14H2,1H3,(H,15,16)
InChIKeyXBSPSYZHPXTDKE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.21
Rot. Bonds4

About 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine

2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine (PubChem CID 82239450) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine
PubChem CID82239450
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine
SMILESCCc1cnc(CC(N)c2ccccc2)[nH]1
InChIInChI=1S/C13H17N3/c1-2-11-9-15-13(16-11)8-12(14)10-6-4-3-5-7-10/h3-7,9,12H,2,8,14H2,1H3,(H,15,16)
InChIKeyXBSPSYZHPXTDKE-UHFFFAOYSA-N
XLogP2.21
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine?
The IUPAC name of 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine (CID 82239450) is 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine?
The canonical SMILES for 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine is CCc1cnc(CC(N)c2ccccc2)[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine?
The InChIKey is XBSPSYZHPXTDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-11-9-15-13(16-11)8-12(14)10-6-4-3-5-7-10/h3-7,9,12H,2,8,14H2,1H3,(H,15,16).
What are the key properties of 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine?
2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine is sourced from PubChem (CID 82239450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).