2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine

C16H23N3 — CID 82902496

IUPAC2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1cncn1C
InChIInChI=1S/C16H23N3/c1-5-18-15(16-10-17-11-19(16)4)9-14-8-12(2)6-7-13(14)3/h6-8,10-11,15,18H,5,9H2,1-4H3
InChIKeyRKOXHOWFTMJFKY-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.93
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine

2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 82902496) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID82902496
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1cncn1C
InChIInChI=1S/C16H23N3/c1-5-18-15(16-10-17-11-19(16)4)9-14-8-12(2)6-7-13(14)3/h6-8,10-11,15,18H,5,9H2,1-4H3
InChIKeyRKOXHOWFTMJFKY-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82887282
2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117772
N-[2-(2-chloro-4-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 106866577
2-(2,5-dimethylphenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807276
N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82903762
2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82922938
2-(2,5-dimethylphenyl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
CID 105101215
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 82902628
N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
CID 82901884
N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 107560646
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 107885107
N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
CID 82903925

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine (CID 82902496) is 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine is CCNC(Cc1cc(C)ccc1C)c1cncn1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is RKOXHOWFTMJFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-18-15(16-10-17-11-19(16)4)9-14-8-12(2)6-7-13(14)3/h6-8,10-11,15,18H,5,9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 82902496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).