1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine

C15H21N3 — CID 65173081

IUPAC1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)n1Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H21N3/c1-11-5-6-14(7-12(11)2)10-18-13(3)17-9-15(18)8-16-4/h5-7,9,16H,8,10H2,1-4H3
InChIKeyXGLVLBLXQSUFGD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.58
Rot. Bonds4

About 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine

1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine (PubChem CID 65173081) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
PubChem CID65173081
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)n1Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H21N3/c1-11-5-6-14(7-12(11)2)10-18-13(3)17-9-15(18)8-16-4/h5-7,9,16H,8,10H2,1-4H3
InChIKeyXGLVLBLXQSUFGD-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172660
1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172508
1-[3-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172920
methyl 3-[(3,4-dimethylphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65171500
1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65316101
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130
N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 82924721
N-methyl-1-[2-methyl-3-(naphthalen-1-ylmethyl)imidazol-4-yl]methanamine
CID 65172711
N-methyl-1-(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine
CID 65173129
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107888054
N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172672
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methoxyethanamine
CID 107888058

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine (CID 65173081) is 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine is CNCc1cnc(C)n1Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The InChIKey is XGLVLBLXQSUFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-5-6-14(7-12(11)2)10-18-13(3)17-9-15(18)8-16-4/h5-7,9,16H,8,10H2,1-4H3.
What are the key properties of 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65173081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).