1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine

C15H21N3 — CID 106559811

IUPAC1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cccc(CC)c1
InChIInChI=1S/C15H21N3/c1-4-9-16-15-17-12(3)11-18(15)14-8-6-7-13(5-2)10-14/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyJNLVMLOTCNIWND-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.57
Rot. Bonds5

About 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine

1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine (PubChem CID 106559811) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
PubChem CID106559811
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cccc(CC)c1
InChIInChI=1S/C15H21N3/c1-4-9-16-15-17-12(3)11-18(15)14-8-6-7-13(5-2)10-14/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyJNLVMLOTCNIWND-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559215
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
CID 106558438
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583317
1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine
CID 106566744
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751
N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106570145
N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
CID 106555123
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine (CID 106559811) is 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1-c1cccc(CC)c1.
What is the InChIKey of 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine?
The InChIKey is JNLVMLOTCNIWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-9-16-15-17-12(3)11-18(15)14-8-6-7-13(5-2)10-14/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine?
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106559811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).