2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine

C15H21N3 — CID 95456243

IUPAC2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
SMILESCC(C)Cc1ccc(-c2nc[nH]c2CCN)cc1
InChIInChI=1S/C15H21N3/c1-11(2)9-12-3-5-13(6-4-12)15-14(7-8-16)17-10-18-15/h3-6,10-11H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyOYMINERQCXWDLL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.78
Rot. Bonds5

About 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine

2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 95456243) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
PubChem CID95456243
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
SMILESCC(C)Cc1ccc(-c2nc[nH]c2CCN)cc1
InChIInChI=1S/C15H21N3/c1-11(2)9-12-3-5-13(6-4-12)15-14(7-8-16)17-10-18-15/h3-6,10-11H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyOYMINERQCXWDLL-UHFFFAOYSA-N
XLogP2.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 95457147
[4-(5-propan-2-yl-1H-imidazol-4-yl)phenyl]methanamine
CID 105468908
[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
CID 95474586
2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine
CID 82287061
N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 117000099
[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
CID 82478232
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine
CID 82292793
2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82285156
2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine
CID 95456693
2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
CID 39101600
2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 116868361
2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 39101589

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine (CID 95456243) is 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine is CC(C)Cc1ccc(-c2nc[nH]c2CCN)cc1.
What is the InChIKey of 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is OYMINERQCXWDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)9-12-3-5-13(6-4-12)15-14(7-8-16)17-10-18-15/h3-6,10-11H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine?
2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 95456243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).