(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride

C15H20ClNO2 — CID 18529256

IUPAC(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]C(O)COc1cccc2ccccc12.[Cl-]
InChIInChI=1S/C15H19NO2.ClH/c1-11(2)16-15(17)10-18-14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,11,15-17H,10H2,1-2H3;1H
InChIKeyIUNNFKYPLSECJS-UHFFFAOYSA-N
MW281.78 g/mol
LogP-1.49
Rot. Bonds5

About (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride

(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride (PubChem CID 18529256) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride.

Molecular Properties

Compound Name(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
PubChem CID18529256
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]C(O)COc1cccc2ccccc12.[Cl-]
InChIInChI=1S/C15H19NO2.ClH/c1-11(2)16-15(17)10-18-14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,11,15-17H,10H2,1-2H3;1H
InChIKeyIUNNFKYPLSECJS-UHFFFAOYSA-N
XLogP-1.49
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
CID 43834240
2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol
CID 25143740
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
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
2-hydroxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-imine oxide
CID 6438998
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-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride?
The IUPAC name of (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride (CID 18529256) is (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride.
What is the SMILES notation for (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride?
The canonical SMILES for (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride is CC(C)[NH2+]C(O)COc1cccc2ccccc12.[Cl-].
What is the InChIKey of (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride?
The InChIKey is IUNNFKYPLSECJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-11(2)16-15(17)10-18-14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,11,15-17H,10H2,1-2H3;1H.
What are the key properties of (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride?
(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride has a molecular weight of 281.78 g/mol, XLogP of -1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride is sourced from PubChem (CID 18529256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).