N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine

C21H25N3O — CID 86854923

IUPACN-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1ccccc1C(NCc1cc(C)cc(C)c1)c1nccn1C
InChIInChI=1S/C21H25N3O/c1-15-11-16(2)13-17(12-15)14-23-20(21-22-9-10-24(21)3)18-7-5-6-8-19(18)25-4/h5-13,20,23H,14H2,1-4H3
InChIKeyGSRAMOWOMGGUPM-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.92
Rot. Bonds6

About N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine

N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 86854923) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
PubChem CID86854923
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1ccccc1C(NCc1cc(C)cc(C)c1)c1nccn1C
InChIInChI=1S/C21H25N3O/c1-15-11-16(2)13-17(12-15)14-23-20(21-22-9-10-24(21)3)18-7-5-6-8-19(18)25-4/h5-13,20,23H,14H2,1-4H3
InChIKeyGSRAMOWOMGGUPM-UHFFFAOYSA-N
XLogP3.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-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

(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 78870553
(1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 99777207
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide
CID 24660535
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine (CID 86854923) is N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine is COc1ccccc1C(NCc1cc(C)cc(C)c1)c1nccn1C.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is GSRAMOWOMGGUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-11-16(2)13-17(12-15)14-23-20(21-22-9-10-24(21)3)18-7-5-6-8-19(18)25-4/h5-13,20,23H,14H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine?
N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 335.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 86854923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).