1-(2-ethoxyethyl)-N-phenylimidazol-2-amine

C13H17N3O — CID 106554048

IUPAC1-(2-ethoxyethyl)-N-phenylimidazol-2-amine
SMILESCCOCCn1ccnc1Nc1ccccc1
InChIInChI=1S/C13H17N3O/c1-2-17-11-10-16-9-8-14-13(16)15-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,14,15)
InChIKeyFMERCXTYAOUOSI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.66
Rot. Bonds6

About 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine

1-(2-ethoxyethyl)-N-phenylimidazol-2-amine (PubChem CID 106554048) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-phenylimidazol-2-amine
PubChem CID106554048
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2-ethoxyethyl)-N-phenylimidazol-2-amine
SMILESCCOCCn1ccnc1Nc1ccccc1
InChIInChI=1S/C13H17N3O/c1-2-17-11-10-16-9-8-14-13(16)15-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,14,15)
InChIKeyFMERCXTYAOUOSI-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine?
The IUPAC name of 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine (CID 106554048) is 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine is CCOCCn1ccnc1Nc1ccccc1.
What is the InChIKey of 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine?
The InChIKey is FMERCXTYAOUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-17-11-10-16-9-8-14-13(16)15-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,14,15).
What are the key properties of 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine?
1-(2-ethoxyethyl)-N-phenylimidazol-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106554048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).