2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine

C14H19N3 — CID 82288535

IUPAC2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCc1ccccc1Cc1nc(CCN)cn1C
InChIInChI=1S/C14H19N3/c1-11-5-3-4-6-12(11)9-14-16-13(7-8-15)10-17(14)2/h3-6,10H,7-9,15H2,1-2H3
InChIKeyCPFVZXPSNMJMCN-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.82
Rot. Bonds4

About 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine

2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 82288535) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine
PubChem CID82288535
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCc1ccccc1Cc1nc(CCN)cn1C
InChIInChI=1S/C14H19N3/c1-11-5-3-4-6-12(11)9-14-16-13(7-8-15)10-17(14)2/h3-6,10H,7-9,15H2,1-2H3
InChIKeyCPFVZXPSNMJMCN-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-2-(2-methylphenyl)imidazol-4-yl]ethanamine
CID 82284699
2-(1-methyl-2-propylimidazol-4-yl)ethanamine
CID 82279407
2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95469453
2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95466296
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine
CID 82284703
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
[5-[(2-methylphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594120
3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine
CID 62744192
[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82504473
4-benzyl-2-ethyl-1-methylimidazole
CID 58611929

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine (CID 82288535) is 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine is Cc1ccccc1Cc1nc(CCN)cn1C.
What is the InChIKey of 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is CPFVZXPSNMJMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-5-3-4-6-12(11)9-14-16-13(7-8-15)10-17(14)2/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine?
2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 82288535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).