1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine

C14H19N3O2 — CID 66149526

IUPAC1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1Cc1ccc(OC)cc1OC
InChIInChI=1S/C14H19N3O2/c1-15-7-12-8-16-10-17(12)9-11-4-5-13(18-2)6-14(11)19-3/h4-6,8,10,15H,7,9H2,1-3H3
InChIKeyAGEDDRHCNMMOBE-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.67
Rot. Bonds6

About 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine

1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine (PubChem CID 66149526) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
PubChem CID66149526
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1Cc1ccc(OC)cc1OC
InChIInChI=1S/C14H19N3O2/c1-15-7-12-8-16-10-17(12)9-11-4-5-13(18-2)6-14(11)19-3/h4-6,8,10,15H,7,9H2,1-3H3
InChIKeyAGEDDRHCNMMOBE-UHFFFAOYSA-N
XLogP1.67
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 66153594
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
1-[(2,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 63362760
N-methyl-1-[3-(thiophen-3-ylmethyl)imidazol-4-yl]methanamine
CID 66150778
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine (CID 66149526) is 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine is CNCc1cncn1Cc1ccc(OC)cc1OC.
What is the InChIKey of 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine?
The InChIKey is AGEDDRHCNMMOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-7-12-8-16-10-17(12)9-11-4-5-13(18-2)6-14(11)19-3/h4-6,8,10,15H,7,9H2,1-3H3.
What are the key properties of 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine?
1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66149526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).