2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine

C15H21N3 — CID 95456247

IUPAC2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine
SMILESCCCc1ccc(-c2cn(CCN)c(C)n2)cc1
InChIInChI=1S/C15H21N3/c1-3-4-13-5-7-14(8-6-13)15-11-18(10-9-16)12(2)17-15/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyWXFYULIMRJRRRG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine

2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine (PubChem CID 95456247) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine
PubChem CID95456247
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine
SMILESCCCc1ccc(-c2cn(CCN)c(C)n2)cc1
InChIInChI=1S/C15H21N3/c1-3-4-13-5-7-14(8-6-13)15-11-18(10-9-16)12(2)17-15/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyWXFYULIMRJRRRG-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine
CID 82288563
2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine
CID 95475760
2-[2-methyl-4-(4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95466244
2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95475893
2-[4-(5-ethyl-2-methoxyphenyl)-2-methylimidazol-1-yl]ethanamine
CID 95466234
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623
2-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83218637
N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine
CID 82512554
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162674197
4-[4-(2-aminoethyl)phenyl]-3-[[2-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
CID 167429716

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine (CID 95456247) is 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine is CCCc1ccc(-c2cn(CCN)c(C)n2)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine?
The InChIKey is WXFYULIMRJRRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-4-13-5-7-14(8-6-13)15-11-18(10-9-16)12(2)17-15/h5-8,11H,3-4,9-10,16H2,1-2H3.
What are the key properties of 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine?
2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 95456247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).