N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine

C15H21N3O — CID 117000099

IUPACN-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCNCCc1[nH]cnc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)19-13-6-4-12(5-7-13)15-14(8-9-16-3)17-10-18-15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyAGHJCHDJFZLIIJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds6

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

N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 117000099) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID117000099
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCNCCc1[nH]cnc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)19-13-6-4-12(5-7-13)15-14(8-9-16-3)17-10-18-15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyAGHJCHDJFZLIIJ-UHFFFAOYSA-N
XLogP2.63
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 95457147
2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine
CID 117000098
2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
CID 95456243
2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82104465
[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82304284
2-(2-chloroethyl)-5-(4-propan-2-yloxyphenyl)-1H-imidazole
CID 116878199
[3-(4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82478088
N-methyl-2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182987
[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine
CID 117001852
3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880162
2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 80978807
N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 55145179

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine (CID 117000099) is N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine is CNCCc1[nH]cnc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is AGHJCHDJFZLIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)19-13-6-4-12(5-7-13)15-14(8-9-16-3)17-10-18-15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine?
N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 117000099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).