1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine

C14H19N3O2 — CID 107974741

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1)c1cn(C)cn1
InChIInChI=1S/C14H19N3O2/c1-15-14(11-8-17(2)9-16-11)10-5-6-12(18-3)13(7-10)19-4/h5-9,14-15H,1-4H3
InChIKeyMVOSMMIRQOOLQD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.75
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine

1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine (PubChem CID 107974741) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
PubChem CID107974741
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1)c1cn(C)cn1
InChIInChI=1S/C14H19N3O2/c1-15-14(11-8-17(2)9-16-11)10-5-6-12(18-3)13(7-10)19-4/h5-9,14-15H,1-4H3
InChIKeyMVOSMMIRQOOLQD-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 114022962
1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107973755
1-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63840394
N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine
CID 107975644
1-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481161
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181
1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 43481131
1-(2,5-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974970
(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978350
1-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43481207
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048328

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine (CID 107974741) is 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine is CNC(c1ccc(OC)c(OC)c1)c1cn(C)cn1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The InChIKey is MVOSMMIRQOOLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-14(11-8-17(2)9-16-11)10-5-6-12(18-3)13(7-10)19-4/h5-9,14-15H,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 107974741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).