Dexpropranolol Hydrochloride

C16H22ClNO2 — CID 66366

IUPAC(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O.Cl
InChIInChI=1S/C16H21NO2.ClH/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;1H/t14-;/m1./s1
InChIKeyZMRUPTIKESYGQW-PFEQFJNWSA-N
MW295.80 g/mol
LogP—
Rot. Bonds6

About Dexpropranolol Hydrochloride

Dexpropranolol Hydrochloride (PubChem CID 66366) has the molecular formula C16H22ClNO2 and a molecular weight of 295.80 g/mol. Its IUPAC name is (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound NameDexpropranolol Hydrochloride
PubChem CID66366
Molecular FormulaC16H22ClNO2
Molecular Weight295.80 g/mol
Exact Mass295.13
IUPAC Name(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O.Cl
InChIInChI=1S/C16H21NO2.ClH/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;1H/t14-;/m1./s1
InChIKeyZMRUPTIKESYGQW-PFEQFJNWSA-N
XLogP—
TPSA41.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity257

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
H-Bond Donors ≤ 53
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
Levobunolol
CID 39468
Penbutolol
CID 37464
Betaxolol Hydrochloride
CID 107952
Dexpropranolol
CID 21138
Toliprolol
CID 18047
(+-)-Bunolol
CID 3914
Alprenolol Hydrochloride
CID 66368

Frequently Asked Questions

What is the IUPAC name of Dexpropranolol Hydrochloride?
The IUPAC name of Dexpropranolol Hydrochloride (CID 66366) is (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for Dexpropranolol Hydrochloride?
The canonical SMILES for Dexpropranolol Hydrochloride is CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O.Cl.
What is the InChIKey of Dexpropranolol Hydrochloride?
The InChIKey is ZMRUPTIKESYGQW-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/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;1H/t14-;/m1./s1.
What are the key properties of Dexpropranolol Hydrochloride?
Dexpropranolol Hydrochloride has a molecular weight of 295.80 g/mol, XLogP of not available, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Dexpropranolol Hydrochloride is sourced from PubChem (CID 66366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).