[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine

C12H15N3O — CID 84682959

IUPAC[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine
SMILESCOc1cc(CN)ccc1-n1ccnc1C
InChIInChI=1S/C12H15N3O/c1-9-14-5-6-15(9)11-4-3-10(8-13)7-12(11)16-2/h3-7H,8,13H2,1-2H3
InChIKeyCSNMVIABQWCKQJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.65
Rot. Bonds3

About [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine

[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine (PubChem CID 84682959) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine
PubChem CID84682959
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine
SMILESCOc1cc(CN)ccc1-n1ccnc1C
InChIInChI=1S/C12H15N3O/c1-9-14-5-6-15(9)11-4-3-10(8-13)7-12(11)16-2/h3-7H,8,13H2,1-2H3
InChIKeyCSNMVIABQWCKQJ-UHFFFAOYSA-N
XLogP1.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine?
The IUPAC name of [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine (CID 84682959) is [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine is COc1cc(CN)ccc1-n1ccnc1C.
What is the InChIKey of [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine?
The InChIKey is CSNMVIABQWCKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-14-5-6-15(9)11-4-3-10(8-13)7-12(11)16-2/h3-7H,8,13H2,1-2H3.
What are the key properties of [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine?
[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 84682959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).