1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine

C14H19N3 — CID 16790663

IUPAC1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1ccc(C(N)Cn2ccnc2C)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-4-5-13(11(2)8-10)14(15)9-17-7-6-16-12(17)3/h4-8,14H,9,15H2,1-3H3
InChIKeyCTLRWOPSJCNYHT-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.51
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine

1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 16790663) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine
PubChem CID16790663
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1ccc(C(N)Cn2ccnc2C)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-4-5-13(11(2)8-10)14(15)9-17-7-6-16-12(17)3/h4-8,14H,9,15H2,1-3H3
InChIKeyCTLRWOPSJCNYHT-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 43211507
1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine
CID 16781353
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine
CID 16641517
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
2-(2-ethylimidazol-1-yl)-1-(2-methylphenyl)ethanamine
CID 61402571
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009189
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
CID 43098495
1-(2,4-dimethylphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882552

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine (CID 16790663) is 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine is Cc1ccc(C(N)Cn2ccnc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is CTLRWOPSJCNYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-4-5-13(11(2)8-10)14(15)9-17-7-6-16-12(17)3/h4-8,14H,9,15H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine?
1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 16790663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).