1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C16H22ClNO2 — CID 2769825

IUPAC1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-12(2)17-10-15(18)11-19-16-8-7-13-5-3-4-6-14(13)9-16;/h3-9,12,15,17-18H,10-11H2,1-2H3;1H
InChIKeyFVYBCFFWDJRUGC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.00
Rot. Bonds6

About 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 2769825) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID2769825
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-12(2)17-10-15(18)11-19-16-8-7-13-5-3-4-6-14(13)9-16;/h3-9,12,15,17-18H,10-11H2,1-2H3;1H
InChIKeyFVYBCFFWDJRUGC-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Propranolol Hydrochloride
CID 62882
Betaxolol
CID 2369
Betaxolol Hydrochloride
CID 107952
Dexpropranolol
CID 21138
Dexpropranolol Hydrochloride
CID 66366
Toliprolol
CID 18047
Levobetaxolol
CID 60657

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 2769825) is 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COc1ccc2ccccc2c1.Cl.
What is the InChIKey of 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is FVYBCFFWDJRUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-15(18)11-19-16-8-7-13-5-3-4-6-14(13)9-16;/h3-9,12,15,17-18H,10-11H2,1-2H3;1H.
What are the key properties of 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 295.81 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 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2769825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).