2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine

C16H23N3O — CID 95475742

IUPAC2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccc(C(C)C)cc1-c1nc(C)[nH]c1CCN
InChIInChI=1S/C16H23N3O/c1-10(2)12-5-6-15(20-4)13(9-12)16-14(7-8-17)18-11(3)19-16/h5-6,9-10H,7-8,17H2,1-4H3,(H,18,19)
InChIKeyBJIWKLGRYODPLE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds5

About 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine

2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine (PubChem CID 95475742) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
PubChem CID95475742
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccc(C(C)C)cc1-c1nc(C)[nH]c1CCN
InChIInChI=1S/C16H23N3O/c1-10(2)12-5-6-15(20-4)13(9-12)16-14(7-8-17)18-11(3)19-16/h5-6,9-10H,7-8,17H2,1-4H3,(H,18,19)
InChIKeyBJIWKLGRYODPLE-UHFFFAOYSA-N
XLogP3.02
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475739
2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82288567
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96665567
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82291070
[4-(2,4-dimethoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82302244
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806
6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 123614236
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84608942

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine (CID 95475742) is 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine is COc1ccc(C(C)C)cc1-c1nc(C)[nH]c1CCN.
What is the InChIKey of 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
The InChIKey is BJIWKLGRYODPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)12-5-6-15(20-4)13(9-12)16-14(7-8-17)18-11(3)19-16/h5-6,9-10H,7-8,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 95475742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).