1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine

C13H17N3 — CID 59597770

IUPAC1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cn(C)c(C)n2)cc1
InChIInChI=1S/C13H17N3/c1-10-15-13(9-16(10)3)12-6-4-11(5-7-12)8-14-2/h4-7,9,14H,8H2,1-3H3
InChIKeyORIGTNNNUKTVTQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.11
Rot. Bonds3

About 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine

1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine (PubChem CID 59597770) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine
PubChem CID59597770
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cn(C)c(C)n2)cc1
InChIInChI=1S/C13H17N3/c1-10-15-13(9-16(10)3)12-6-4-11(5-7-12)8-14-2/h4-7,9,14H,8H2,1-3H3
InChIKeyORIGTNNNUKTVTQ-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine (CID 59597770) is 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2cn(C)c(C)n2)cc1.
What is the InChIKey of 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is ORIGTNNNUKTVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-15-13(9-16(10)3)12-6-4-11(5-7-12)8-14-2/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine?
1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 59597770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).