N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine

C14H19N3 — CID 106560009

IUPACN-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1cccc(C)c1C
InChIInChI=1S/C14H19N3/c1-5-17-9-11(3)15-14(17)16-13-8-6-7-10(2)12(13)4/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyHQVVLELMCBBQSU-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.57
Rot. Bonds3

About N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine

N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106560009) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106560009
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1cccc(C)c1C
InChIInChI=1S/C14H19N3/c1-5-17-9-11(3)15-14(17)16-13-8-6-7-10(2)12(13)4/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyHQVVLELMCBBQSU-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560336
N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106561516
1-cyclohexyl-N-(2,3-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559968
N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106578611
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine
CID 106562338
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
1-ethyl-4-methyl-N-(1-methylpyrazol-3-yl)imidazol-2-amine
CID 106562971
ethyl 2-[1-benzyl-2-(2,3-dimethylanilino)-4-oxopyrimidin-5-yl]acetate
CID 163928985
1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556158
N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106581586
N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106576656

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine (CID 106560009) is N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is HQVVLELMCBBQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-17-9-11(3)15-14(17)16-13-8-6-7-10(2)12(13)4/h6-9H,5H2,1-4H3,(H,15,16).
What are the key properties of N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine?
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106560009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).