Dexpropranolol

C16H21NO2 — CID 21138

IUPAC(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O
InChIInChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyAQHHHDLHHXJYJD-CQSZACIVSA-N
MW259.34 g/mol
LogP3.00
Rot. Bonds6

About Dexpropranolol

Dexpropranolol (PubChem CID 21138) has the molecular formula C16H21NO2 and a molecular weight of 259.34 g/mol. Its IUPAC name is (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound NameDexpropranolol
PubChem CID21138
Molecular FormulaC16H21NO2
Molecular Weight259.34 g/mol
Exact Mass259.16
IUPAC Name(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O
InChIInChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyAQHHHDLHHXJYJD-CQSZACIVSA-N
XLogP3.00
TPSA41.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity257

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nadolol
CID 39147
Alprenolol
CID 2119
Propranolol
CID 4946
Metoprolol
CID 4171
Propranolol Hydrochloride
CID 62882
Betaxolol
CID 2369
Levobunolol
CID 39468
Penbutolol
CID 37464
Dexpropranolol Hydrochloride
CID 66366
Toliprolol
CID 18047
(+-)-Bunolol
CID 3914
Alprenolol Hydrochloride
CID 66368

Frequently Asked Questions

What is the IUPAC name of Dexpropranolol?
The IUPAC name of Dexpropranolol (CID 21138) is (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for Dexpropranolol?
The canonical SMILES for Dexpropranolol is CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O.
What is the InChIKey of Dexpropranolol?
The InChIKey is AQHHHDLHHXJYJD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of Dexpropranolol?
Dexpropranolol has a molecular weight of 259.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Dexpropranolol is sourced from PubChem (CID 21138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).