2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide

C16H19NO3 — CID 6438998

IUPAC2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide
SMILESCC(C)/[N+]([O-])=C/C(O)COc1cccc2ccccc12
InChIInChI=1S/C16H19NO3/c1-12(2)17(19)10-14(18)11-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-10,12,14,18H,11H2,1-2H3/b17-10-
InChIKeyHZIWJRLPDPBUQJ-YVLHZVERSA-N
MW273.33 g/mol
LogP2.57
Rot. Bonds5

About 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide

2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide (PubChem CID 6438998) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide.

Molecular Properties

Compound Name2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide
PubChem CID6438998
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide
SMILESCC(C)/[N+]([O-])=C/C(O)COc1cccc2ccccc12
InChIInChI=1S/C16H19NO3/c1-12(2)17(19)10-14(18)11-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-10,12,14,18H,11H2,1-2H3/b17-10-
InChIKeyHZIWJRLPDPBUQJ-YVLHZVERSA-N
XLogP2.57
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
CID 18529256
(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
CID 43834240
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-propan-2-ylazanium;[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-propan-2-ylazanium;methanol;oxalate
CID 139201155
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide?
The IUPAC name of 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide (CID 6438998) is 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide.
What is the SMILES notation for 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide?
The canonical SMILES for 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide is CC(C)/[N+]([O-])=C/C(O)COc1cccc2ccccc12.
What is the InChIKey of 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide?
The InChIKey is HZIWJRLPDPBUQJ-YVLHZVERSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12(2)17(19)10-14(18)11-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-10,12,14,18H,11H2,1-2H3/b17-10-.
What are the key properties of 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide?
2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide has a molecular weight of 273.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide is sourced from PubChem (CID 6438998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).