1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol

C14H19N3O2 — CID 62350715

IUPAC1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
SMILESCc1ncn(CC(O)COc2ccc(N)cc2)c1C
InChIInChI=1S/C14H19N3O2/c1-10-11(2)17(9-16-10)7-13(18)8-19-14-5-3-12(15)4-6-14/h3-6,9,13,18H,7-8,15H2,1-2H3
InChIKeySISFPCPQUWBTAB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds5

About 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol

1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol (PubChem CID 62350715) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
PubChem CID62350715
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
SMILESCc1ncn(CC(O)COc2ccc(N)cc2)c1C
InChIInChI=1S/C14H19N3O2/c1-10-11(2)17(9-16-10)7-13(18)8-19-14-5-3-12(15)4-6-14/h3-6,9,13,18H,7-8,15H2,1-2H3
InChIKeySISFPCPQUWBTAB-UHFFFAOYSA-N
XLogP1.52
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol (CID 62350715) is 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol is Cc1ncn(CC(O)COc2ccc(N)cc2)c1C.
What is the InChIKey of 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol?
The InChIKey is SISFPCPQUWBTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-11(2)17(9-16-10)7-13(18)8-19-14-5-3-12(15)4-6-14/h3-6,9,13,18H,7-8,15H2,1-2H3.
What are the key properties of 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol?
1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 62350715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).