1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

C15H23NO2 — CID 2119

IUPAC1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
InChIKeyPAZJSJFMUHDSTF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.15
Rot. Bonds8

About 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 2119) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
PubChem CID2119
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
InChIKeyPAZJSJFMUHDSTF-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Propranolol Hydrochloride
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Betaxolol
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Penbutolol
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Betaxolol Hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol (CID 2119) is 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol is C=CCc1ccccc1OCC(O)CNC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is PAZJSJFMUHDSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3.
What are the key properties of 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol?
1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 2119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).