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

C15H23NO3 — CID 4631

💊View drug profile → oxprenolol
IUPAC1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol
SMILESC=CCOc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
InChIKeyCEMAWMOMDPGJMB-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.99
Rot. Bonds9

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

1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol (PubChem CID 4631) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol
PubChem CID4631
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol
SMILESC=CCOc1ccccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
InChIKeyCEMAWMOMDPGJMB-UHFFFAOYSA-N
XLogP1.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Alprenolol
CID 2119
Metoprolol
CID 4171
Viloxazine
CID 5666
Viloxazine Hydrochloride
CID 71424
Toliprolol
CID 18047
Oxprenolol Hydrochloride
CID 71172
Alprenolol Hydrochloride
CID 66368
Alprenolol, (S)-
CID 204665
O-Demethylmetoprolol
CID 162181
H-9/64
CID 3123920
2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-
CID 203685
Bufetolol
CID 2465

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol (CID 4631) is 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol is C=CCOc1ccccc1OCC(O)CNC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol?
The InChIKey is CEMAWMOMDPGJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3.
What are the key properties of 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol?
1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol is sourced from PubChem (CID 4631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).