1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol

C16H21N3O2 — CID 3069781

IUPAC1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CN(C)C)n1ccnc1
InChIInChI=1S/C16H21N3O2/c1-13(19-9-8-17-12-19)15-6-4-5-7-16(15)21-11-14(20)10-18(2)3/h4-9,12,14,20H,1,10-11H2,2-3H3
InChIKeyUKKWCLWCSWTKLJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds7

About 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol

1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol (PubChem CID 3069781) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol
PubChem CID3069781
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CN(C)C)n1ccnc1
InChIInChI=1S/C16H21N3O2/c1-13(19-9-8-17-12-19)15-6-4-5-7-16(15)21-11-14(20)10-18(2)3/h4-9,12,14,20H,1,10-11H2,2-3H3
InChIKeyUKKWCLWCSWTKLJ-UHFFFAOYSA-N
XLogP1.70
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol (CID 3069781) is 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol is C=C(c1ccccc1OCC(O)CN(C)C)n1ccnc1.
What is the InChIKey of 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol?
The InChIKey is UKKWCLWCSWTKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(19-9-8-17-12-19)15-6-4-5-7-16(15)21-11-14(20)10-18(2)3/h4-9,12,14,20H,1,10-11H2,2-3H3.
What are the key properties of 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol?
1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol is sourced from PubChem (CID 3069781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).