1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol

C15H19N3O2 — CID 13157369

IUPAC1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESOC(CNC1CC1)COc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c19-13(9-18-12-3-4-12)10-20-14-5-1-11(2-6-14)15-16-7-8-17-15/h1-2,5-8,12-13,18-19H,3-4,9-10H2,(H,16,17)
InChIKeyDYQWWWOLSWZEAF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.57
Rot. Bonds7

About 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol

1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol (PubChem CID 13157369) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
PubChem CID13157369
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESOC(CNC1CC1)COc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c19-13(9-18-12-3-4-12)10-20-14-5-1-11(2-6-14)15-16-7-8-17-15/h1-2,5-8,12-13,18-19H,3-4,9-10H2,(H,16,17)
InChIKeyDYQWWWOLSWZEAF-UHFFFAOYSA-N
XLogP1.57
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol (CID 13157369) is 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol is OC(CNC1CC1)COc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is DYQWWWOLSWZEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-13(9-18-12-3-4-12)10-20-14-5-1-11(2-6-14)15-16-7-8-17-15/h1-2,5-8,12-13,18-19H,3-4,9-10H2,(H,16,17).
What are the key properties of 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol?
1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 273.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 13157369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).