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

C13H17N3 — CID 82284703

IUPAC2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine
SMILESCc1ccc(-c2nc(CCN)cn2C)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-11(6-4-10)13-15-12(7-8-14)9-16(13)2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyHTBCFTAWJGDHQK-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.90
Rot. Bonds3

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

2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine (PubChem CID 82284703) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine
PubChem CID82284703
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine
SMILESCc1ccc(-c2nc(CCN)cn2C)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-11(6-4-10)13-15-12(7-8-14)9-16(13)2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyHTBCFTAWJGDHQK-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromophenyl)-1-methylimidazol-4-yl]methanamine
CID 82304335
2-[1-methyl-2-(2-methylphenyl)imidazol-4-yl]ethanamine
CID 82284699
2-(1-methyl-2-propylimidazol-4-yl)ethanamine
CID 82279407
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 82288540
2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95466296
2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 82288535
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
CID 82286802
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
CID 82022820
methyl 3-[4-[4-[4-(2-aminoethyl)phenyl]-1-methylimidazol-2-yl]phenyl]propanoate
CID 19376526

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine (CID 82284703) is 2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine is Cc1ccc(-c2nc(CCN)cn2C)cc1.
What is the InChIKey of 2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine?
The InChIKey is HTBCFTAWJGDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-3-5-11(6-4-10)13-15-12(7-8-14)9-16(13)2/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine?
2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 82284703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).