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

C16H21NO2 — CID 4946

💊View drug profile → propranolol
IUPAC1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc2ccccc12
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
InChIKeyAQHHHDLHHXJYJD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds6

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

1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 4946) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID4946
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc2ccccc12
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
InChIKeyAQHHHDLHHXJYJD-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nadolol
CID 39147
Alprenolol
CID 2119
Metoprolol
CID 4171
Propranolol Hydrochloride
CID 62882
Betaxolol
CID 2369
Levobunolol
CID 39468
Penbutolol
CID 37464
Dexpropranolol Hydrochloride
CID 66366
Dexpropranolol
CID 21138
Toliprolol
CID 18047
(+-)-Bunolol
CID 3914
Alprenolol Hydrochloride
CID 66368

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol (CID 4946) is 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is AQHHHDLHHXJYJD-UHFFFAOYSA-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.
What are the key properties of 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol?
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 4946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).