1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine

C15H21N3O — CID 43651379

IUPAC1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCCOc1ccc(-c2cnc(C(N)C(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3O/c1-4-19-12-7-5-11(6-8-12)13-9-17-15(18-13)14(16)10(2)3/h5-10,14H,4,16H2,1-3H3,(H,17,18)
InChIKeyCZTIFUCNJCMVQG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.13
Rot. Bonds5

About 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine

1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (PubChem CID 43651379) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
PubChem CID43651379
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCCOc1ccc(-c2cnc(C(N)C(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3O/c1-4-19-12-7-5-11(6-8-12)13-9-17-15(18-13)14(16)10(2)3/h5-10,14H,4,16H2,1-3H3,(H,17,18)
InChIKeyCZTIFUCNJCMVQG-UHFFFAOYSA-N
XLogP3.13
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
CID 43651492
5-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733698
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine
CID 43649795
5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
CID 174408682
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82463571
1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 123196921
1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 123475669
3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43651267
1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651339

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (CID 43651379) is 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine is CCOc1ccc(-c2cnc(C(N)C(C)C)[nH]2)cc1.
What is the InChIKey of 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is CZTIFUCNJCMVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-19-12-7-5-11(6-8-12)13-9-17-15(18-13)14(16)10(2)3/h5-10,14H,4,16H2,1-3H3,(H,17,18).
What are the key properties of 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 43651379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).