1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine

C14H19N3 — CID 43487092

IUPAC1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2ncc[nH]2)NC)cc1
InChIInChI=1S/C14H19N3/c1-3-11-4-6-12(7-5-11)13(15-2)10-14-16-8-9-17-14/h4-9,13,15H,3,10H2,1-2H3,(H,16,17)
InChIKeyPGSQPZHUCNKYAW-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.48
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine

1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine (PubChem CID 43487092) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
PubChem CID43487092
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2ncc[nH]2)NC)cc1
InChIInChI=1S/C14H19N3/c1-3-11-4-6-12(7-5-11)13(15-2)10-14-16-8-9-17-14/h4-9,13,15H,3,10H2,1-2H3,(H,16,17)
InChIKeyPGSQPZHUCNKYAW-UHFFFAOYSA-N
XLogP2.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498005
1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61082232
2-(1H-imidazol-2-yl)-N-methyl-1-(1H-pyrazol-5-yl)ethanamine
CID 82239716
2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 43607987
2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 43487152
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487055
1-(5-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487053
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 43493333
1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 81110287
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43805254
1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 80536178

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine (CID 43487092) is 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine is CCc1ccc(C(Cc2ncc[nH]2)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The InChIKey is PGSQPZHUCNKYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-11-4-6-12(7-5-11)13(15-2)10-14-16-8-9-17-14/h4-9,13,15H,3,10H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 43487092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).