N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine

C16H23N3 — CID 79751577

IUPACN-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-4-17-15(14-8-6-7-13(3)11-14)12-16-18-9-10-19(16)5-2/h6-11,15,17H,4-5,12H2,1-3H3
InChIKeyNJWPKMAXELMJFP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.10
Rot. Bonds6

About N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine (PubChem CID 79751577) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
PubChem CID79751577
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-4-17-15(14-8-6-7-13(3)11-14)12-16-18-9-10-19(16)5-2/h6-11,15,17H,4-5,12H2,1-3H3
InChIKeyNJWPKMAXELMJFP-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009096
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 79752662
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 79751877
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105165788
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105165931
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105009083
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012514
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine (CID 79751577) is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine is CCNC(Cc1nccn1CC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine?
The InChIKey is NJWPKMAXELMJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-17-15(14-8-6-7-13(3)11-14)12-16-18-9-10-19(16)5-2/h6-11,15,17H,4-5,12H2,1-3H3.
What are the key properties of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine?
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 79751577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).