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

C16H23N3O2 — CID 12521588

IUPAC1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)19-10-13(20)11-21-14-6-4-12(5-7-14)15-17-8-9-18-15/h4-9,13,19-20H,10-11H2,1-3H3,(H,17,18)
InChIKeyHBYIEJQLZYCNSI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.20
Rot. Bonds6

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

1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol (PubChem CID 12521588) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
PubChem CID12521588
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)19-10-13(20)11-21-14-6-4-12(5-7-14)15-17-8-9-18-15/h4-9,13,19-20H,10-11H2,1-3H3,(H,17,18)
InChIKeyHBYIEJQLZYCNSI-UHFFFAOYSA-N
XLogP2.20
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol (CID 12521588) is 1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol is CC(C)(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is HBYIEJQLZYCNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)19-10-13(20)11-21-14-6-4-12(5-7-14)15-17-8-9-18-15/h4-9,13,19-20H,10-11H2,1-3H3,(H,17,18).
What are the key properties of 1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 12521588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).