2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine

C14H19N3 — CID 82288567

IUPAC2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc(C)[nH]c2CCN)c(C)c1
InChIInChI=1S/C14H19N3/c1-9-4-5-12(10(2)8-9)14-13(6-7-15)16-11(3)17-14/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyJKRXNUZIGAQMQP-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.50
Rot. Bonds3

About 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine

2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine (PubChem CID 82288567) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
PubChem CID82288567
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc(C)[nH]c2CCN)c(C)c1
InChIInChI=1S/C14H19N3/c1-9-4-5-12(10(2)8-9)14-13(6-7-15)16-11(3)17-14/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyJKRXNUZIGAQMQP-UHFFFAOYSA-N
XLogP2.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82294206
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine
CID 95474593
2-[3-(2,4-dimethylphenyl)phenyl]ethanamine
CID 82115094
2-[4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475739
2-[2-(2,4-dimethylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82529736
2-(4-bromo-2-methyl-1H-imidazol-5-yl)ethanamine
CID 83638263
2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine
CID 116642504
5-(2,4-dimethylphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62219048
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine (CID 82288567) is 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine is Cc1ccc(-c2nc(C)[nH]c2CCN)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
The InChIKey is JKRXNUZIGAQMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-4-5-12(10(2)8-9)14-13(6-7-15)16-11(3)17-14/h4-5,8H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 82288567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).