1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride

C13H19Cl2N3O — CID 67689860

IUPAC1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
SMILESCC(C)(N)COc1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C13H17N3O.2ClH/c1-13(2,14)9-17-12-5-3-11(4-6-12)16-8-7-15-10-16;;/h3-8,10H,9,14H2,1-2H3;2*1H
InChIKeyXFXWKSSNFFUVSN-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.83
Rot. Bonds4

About 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride

1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride (PubChem CID 67689860) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
PubChem CID67689860
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
SMILESCC(C)(N)COc1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C13H17N3O.2ClH/c1-13(2,14)9-17-12-5-3-11(4-6-12)16-8-7-15-10-16;;/h3-8,10H,9,14H2,1-2H3;2*1H
InChIKeyXFXWKSSNFFUVSN-UHFFFAOYSA-N
XLogP2.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
1-[(4-imidazol-1-ylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66230899
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide
CID 68803254
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981
1-(4-hex-5-enoxyphenyl)imidazole
CID 86214589
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
2-(4-imidazol-1-ylphenoxy)ethyl N,N-dimethylsulfamate
CID 54128900

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride?
The IUPAC name of 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride (CID 67689860) is 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride.
What is the SMILES notation for 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride?
The canonical SMILES for 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride is CC(C)(N)COc1ccc(-n2ccnc2)cc1.Cl.Cl.
What is the InChIKey of 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride?
The InChIKey is XFXWKSSNFFUVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.2ClH/c1-13(2,14)9-17-12-5-3-11(4-6-12)16-8-7-15-10-16;;/h3-8,10H,9,14H2,1-2H3;2*1H.
What are the key properties of 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride?
1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride has a molecular weight of 304.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride is sourced from PubChem (CID 67689860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).