(3-ethyl-2-imidazol-1-ylphenyl)methanamine

C12H15N3 — CID 84670177

IUPAC(3-ethyl-2-imidazol-1-ylphenyl)methanamine
SMILESCCc1cccc(CN)c1-n1ccnc1
InChIInChI=1S/C12H15N3/c1-2-10-4-3-5-11(8-13)12(10)15-7-6-14-9-15/h3-7,9H,2,8,13H2,1H3
InChIKeyRJQFYCZDBLFDHR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.89
Rot. Bonds3

About (3-ethyl-2-imidazol-1-ylphenyl)methanamine

(3-ethyl-2-imidazol-1-ylphenyl)methanamine (PubChem CID 84670177) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3-ethyl-2-imidazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-2-imidazol-1-ylphenyl)methanamine
PubChem CID84670177
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(3-ethyl-2-imidazol-1-ylphenyl)methanamine
SMILESCCc1cccc(CN)c1-n1ccnc1
InChIInChI=1S/C12H15N3/c1-2-10-4-3-5-11(8-13)12(10)15-7-6-14-9-15/h3-7,9H,2,8,13H2,1H3
InChIKeyRJQFYCZDBLFDHR-UHFFFAOYSA-N
XLogP1.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-imidazol-1-ylphenyl)methanamine?
The IUPAC name of (3-ethyl-2-imidazol-1-ylphenyl)methanamine (CID 84670177) is (3-ethyl-2-imidazol-1-ylphenyl)methanamine.
What is the SMILES notation for (3-ethyl-2-imidazol-1-ylphenyl)methanamine?
The canonical SMILES for (3-ethyl-2-imidazol-1-ylphenyl)methanamine is CCc1cccc(CN)c1-n1ccnc1.
What is the InChIKey of (3-ethyl-2-imidazol-1-ylphenyl)methanamine?
The InChIKey is RJQFYCZDBLFDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-10-4-3-5-11(8-13)12(10)15-7-6-14-9-15/h3-7,9H,2,8,13H2,1H3.
What are the key properties of (3-ethyl-2-imidazol-1-ylphenyl)methanamine?
(3-ethyl-2-imidazol-1-ylphenyl)methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-imidazol-1-ylphenyl)methanamine is sourced from PubChem (CID 84670177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).