[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine

C13H17N3 — CID 115029246

IUPAC[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine
SMILESCCc1ncc(-c2ccc(C)c(CN)c2)[nH]1
InChIInChI=1S/C13H17N3/c1-3-13-15-8-12(16-13)10-5-4-9(2)11(6-10)7-14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyZDHOQYKCIMGKDT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.41
Rot. Bonds3

About [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine

[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine (PubChem CID 115029246) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine
PubChem CID115029246
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine
SMILESCCc1ncc(-c2ccc(C)c(CN)c2)[nH]1
InChIInChI=1S/C13H17N3/c1-3-13-15-8-12(16-13)10-5-4-9(2)11(6-10)7-14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyZDHOQYKCIMGKDT-UHFFFAOYSA-N
XLogP2.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine?
The IUPAC name of [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine (CID 115029246) is [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine.
What is the SMILES notation for [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine?
The canonical SMILES for [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine is CCc1ncc(-c2ccc(C)c(CN)c2)[nH]1.
What is the InChIKey of [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine?
The InChIKey is ZDHOQYKCIMGKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-13-15-8-12(16-13)10-5-4-9(2)11(6-10)7-14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine?
[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine is sourced from PubChem (CID 115029246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).