1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine

C14H19N3O2 — CID 63974301

IUPAC1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OC)cc1-c1nccn1C
InChIInChI=1S/C14H19N3O2/c1-15-9-10-7-12(18-3)13(19-4)8-11(10)14-16-5-6-17(14)2/h5-8,15H,9H2,1-4H3
InChIKeyFAQOJXNTRJSZMV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.82
Rot. Bonds5

About 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine

1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine (PubChem CID 63974301) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
PubChem CID63974301
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OC)cc1-c1nccn1C
InChIInChI=1S/C14H19N3O2/c1-15-9-10-7-12(18-3)13(19-4)8-11(10)14-16-5-6-17(14)2/h5-8,15H,9H2,1-4H3
InChIKeyFAQOJXNTRJSZMV-UHFFFAOYSA-N
XLogP1.82
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine (CID 63974301) is 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine is CNCc1cc(OC)c(OC)cc1-c1nccn1C.
What is the InChIKey of 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is FAQOJXNTRJSZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-9-10-7-12(18-3)13(19-4)8-11(10)14-16-5-6-17(14)2/h5-8,15H,9H2,1-4H3.
What are the key properties of 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine?
1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63974301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).