1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine

C15H21N3 — CID 105009189

IUPAC1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1cc(C)ccc1C
InChIInChI=1S/C15H21N3/c1-4-18-8-7-17-15(18)10-14(16)13-9-11(2)5-6-12(13)3/h5-9,14H,4,10,16H2,1-3H3
InChIKeyYDBGGZCTDZHCSF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.76
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine

1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 105009189) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
PubChem CID105009189
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1cc(C)ccc1C
InChIInChI=1S/C15H21N3/c1-4-18-8-7-17-15(18)10-14(16)13-9-11(2)5-6-12(13)3/h5-9,14H,4,10,16H2,1-3H3
InChIKeyYDBGGZCTDZHCSF-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 79751964
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(3,5-dimethyl-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 113365596
1-(2,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001942
1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 114885900
1-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79752940
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009550
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012514
2-(1-ethylimidazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115819361
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine (CID 105009189) is 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine is CCn1ccnc1CC(N)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is YDBGGZCTDZHCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-18-8-7-17-15(18)10-14(16)13-9-11(2)5-6-12(13)3/h5-9,14H,4,10,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105009189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).