[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium

C15H20NO2+ — CID 7452468

IUPAC[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](O)COc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO2/c1-16(2)10-14(17)11-18-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,17H,10-11H2,1-2H3/p+1/t14-/m0/s1
InChIKeyPSQQJPWWHGAUQX-AWEZNQCLSA-O
MW246.33 g/mol
LogP0.72
Rot. Bonds5

About [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium

[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium (PubChem CID 7452468) has the molecular formula C15H20NO2+ and a molecular weight of 246.33 g/mol. Its IUPAC name is [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
PubChem CID7452468
Molecular FormulaC15H20NO2+
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](O)COc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO2/c1-16(2)10-14(17)11-18-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,17H,10-11H2,1-2H3/p+1/t14-/m0/s1
InChIKeyPSQQJPWWHGAUQX-AWEZNQCLSA-O
XLogP0.72
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium 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

cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium
CID 6945163
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
3-hydroxy-4-naphthalen-2-yloxybutane-1-sulfonic acid
CID 90272213
1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol
CID 101173009
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium?
The IUPAC name of [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium (CID 7452468) is [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium.
What is the SMILES notation for [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium?
The canonical SMILES for [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium is C[NH+](C)C[C@H](O)COc1ccc2ccccc2c1.
What is the InChIKey of [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium?
The InChIKey is PSQQJPWWHGAUQX-AWEZNQCLSA-O. The full InChI is InChI=1S/C15H19NO2/c1-16(2)10-14(17)11-18-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,17H,10-11H2,1-2H3/p+1/t14-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium?
[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium has a molecular weight of 246.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium is sourced from PubChem (CID 7452468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).