2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine

C15H21N3 — CID 62350551

IUPAC2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)Cn2cnc(C)c2C)cc1
InChIInChI=1S/C15H21N3/c1-4-13-5-7-14(8-6-13)15(16)9-18-10-17-11(2)12(18)3/h5-8,10,15H,4,9,16H2,1-3H3
InChIKeyVTLRWFUUNKWZAY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.76
Rot. Bonds4

About 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine

2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine (PubChem CID 62350551) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine
PubChem CID62350551
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)Cn2cnc(C)c2C)cc1
InChIInChI=1S/C15H21N3/c1-4-13-5-7-14(8-6-13)15(16)9-18-10-17-11(2)12(18)3/h5-8,10,15H,4,9,16H2,1-3H3
InChIKeyVTLRWFUUNKWZAY-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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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine (CID 62350551) is 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)Cn2cnc(C)c2C)cc1.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is VTLRWFUUNKWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-13-5-7-14(8-6-13)15(16)9-18-10-17-11(2)12(18)3/h5-8,10,15H,4,9,16H2,1-3H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine?
2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)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 2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 62350551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).