1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol

C19H27N3O2 — CID 3069774

IUPAC1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol
SMILESC=C(c1cccc(C)c1OCC(O)CNC(C)(C)C)n1ccnc1
InChIInChI=1S/C19H27N3O2/c1-14-7-6-8-17(15(2)22-10-9-20-13-22)18(14)24-12-16(23)11-21-19(3,4)5/h6-10,13,16,21,23H,2,11-12H2,1,3-5H3
InChIKeyXMAYIBYRAZTZSW-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.84
Rot. Bonds7

About 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol

1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol (PubChem CID 3069774) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol
PubChem CID3069774
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol
SMILESC=C(c1cccc(C)c1OCC(O)CNC(C)(C)C)n1ccnc1
InChIInChI=1S/C19H27N3O2/c1-14-7-6-8-17(15(2)22-10-9-20-13-22)18(14)24-12-16(23)11-21-19(3,4)5/h6-10,13,16,21,23H,2,11-12H2,1,3-5H3
InChIKeyXMAYIBYRAZTZSW-UHFFFAOYSA-N
XLogP2.84
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol (CID 3069774) is 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol is C=C(c1cccc(C)c1OCC(O)CNC(C)(C)C)n1ccnc1.
What is the InChIKey of 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol?
The InChIKey is XMAYIBYRAZTZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-7-6-8-17(15(2)22-10-9-20-13-22)18(14)24-12-16(23)11-21-19(3,4)5/h6-10,13,16,21,23H,2,11-12H2,1,3-5H3.
What are the key properties of 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol?
1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol is sourced from PubChem (CID 3069774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).