1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine

C13H17N3O — CID 63976635

IUPAC1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2nccn2C)ccc1OC
InChIInChI=1S/C13H17N3O/c1-14-9-11-8-10(4-5-12(11)17-3)13-15-6-7-16(13)2/h4-8,14H,9H2,1-3H3
InChIKeyDIYXJYYJOAJDRV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine

1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine (PubChem CID 63976635) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
PubChem CID63976635
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2nccn2C)ccc1OC
InChIInChI=1S/C13H17N3O/c1-14-9-11-8-10(4-5-12(11)17-3)13-15-6-7-16(13)2/h4-8,14H,9H2,1-3H3
InChIKeyDIYXJYYJOAJDRV-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine (CID 63976635) is 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine is CNCc1cc(-c2nccn2C)ccc1OC.
What is the InChIKey of 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is DIYXJYYJOAJDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-9-11-8-10(4-5-12(11)17-3)13-15-6-7-16(13)2/h4-8,14H,9H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine?
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63976635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).