1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine

C15H21N3 — CID 114272677

IUPAC1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCCn1cnc(C(Cc2ccc(C)cc2)NC)c1
InChIInChI=1S/C15H21N3/c1-4-18-10-15(17-11-18)14(16-3)9-13-7-5-12(2)6-8-13/h5-8,10-11,14,16H,4,9H2,1-3H3
InChIKeyHZIIHMBTVBMGRI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.71
Rot. Bonds5

About 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 114272677) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID114272677
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCCn1cnc(C(Cc2ccc(C)cc2)NC)c1
InChIInChI=1S/C15H21N3/c1-4-18-10-15(17-11-18)14(16-3)9-13-7-5-12(2)6-8-13/h5-8,10-11,14,16H,4,9H2,1-3H3
InChIKeyHZIIHMBTVBMGRI-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 114272677) is 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine is CCn1cnc(C(Cc2ccc(C)cc2)NC)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is HZIIHMBTVBMGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-18-10-15(17-11-18)14(16-3)9-13-7-5-12(2)6-8-13/h5-8,10-11,14,16H,4,9H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 114272677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).