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

C14H19N3 — CID 82474178

IUPAC2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine
SMILESCc1ccc(Cn2ccnc2CCN)c(C)c1
InChIInChI=1S/C14H19N3/c1-11-3-4-13(12(2)9-11)10-17-8-7-16-14(17)5-6-15/h3-4,7-9H,5-6,10,15H2,1-2H3
InChIKeyXINDDSOGUUHURY-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.05
Rot. Bonds4

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

2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine (PubChem CID 82474178) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine
PubChem CID82474178
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine
SMILESCc1ccc(Cn2ccnc2CCN)c(C)c1
InChIInChI=1S/C14H19N3/c1-11-3-4-13(12(2)9-11)10-17-8-7-16-14(17)5-6-15/h3-4,7-9H,5-6,10,15H2,1-2H3
InChIKeyXINDDSOGUUHURY-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
CID 112651288
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 62408867
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048661
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 107886659
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
CID 107052795
2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine
CID 80694657
[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine
CID 61402521
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
4-fluoro-2-[(2-propylimidazol-1-yl)methyl]benzenecarbothioamide
CID 64765991
3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine (CID 82474178) is 2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine is Cc1ccc(Cn2ccnc2CCN)c(C)c1.
What is the InChIKey of 2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine?
The InChIKey is XINDDSOGUUHURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-3-4-13(12(2)9-11)10-17-8-7-16-14(17)5-6-15/h3-4,7-9H,5-6,10,15H2,1-2H3.
What are the key properties of 2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine?
2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine is sourced from PubChem (CID 82474178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).