2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine

C16H23N3O — CID 95475893

IUPAC2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
SMILESCc1cc(-c2cn(CCN)c(C)n2)ccc1OC(C)C
InChIInChI=1S/C16H23N3O/c1-11(2)20-16-6-5-14(9-12(16)3)15-10-19(8-7-17)13(4)18-15/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyXEECQZJXFOSRGD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.91
Rot. Bonds5

About 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine

2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine (PubChem CID 95475893) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
PubChem CID95475893
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
SMILESCc1cc(-c2cn(CCN)c(C)n2)ccc1OC(C)C
InChIInChI=1S/C16H23N3O/c1-11(2)20-16-6-5-14(9-12(16)3)15-10-19(8-7-17)13(4)18-15/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyXEECQZJXFOSRGD-UHFFFAOYSA-N
XLogP2.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-4-(4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95466244
2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine
CID 82288563
[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
CID 95474508
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine
CID 95475760
2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine
CID 95456247
[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 82484193
2-[4-(5-ethyl-2-methoxyphenyl)-2-methylimidazol-1-yl]ethanamine
CID 95466234
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82289585
6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine
CID 11404593
2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran
CID 145481148

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine (CID 95475893) is 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine is Cc1cc(-c2cn(CCN)c(C)n2)ccc1OC(C)C.
What is the InChIKey of 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine?
The InChIKey is XEECQZJXFOSRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)20-16-6-5-14(9-12(16)3)15-10-19(8-7-17)13(4)18-15/h5-6,9-11H,7-8,17H2,1-4H3.
What are the key properties of 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine?
2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 95475893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).