(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium

C15H20NO+ — CID 91999379

IUPAC(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
SMILESC[N+](C)(C)CC(O)c1cccc2ccccc12
InChIInChI=1S/C15H20NO/c1-16(2,3)11-15(17)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17H,11H2,1-3H3/q+1
InChIKeyPGHZCVSHTKXCBZ-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.58
Rot. Bonds3

About (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium

(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium (PubChem CID 91999379) has the molecular formula C15H20NO+ and a molecular weight of 230.33 g/mol. Its IUPAC name is (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
PubChem CID91999379
Molecular FormulaC15H20NO+
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Name(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
SMILESC[N+](C)(C)CC(O)c1cccc2ccccc12
InChIInChI=1S/C15H20NO/c1-16(2,3)11-15(17)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17H,11H2,1-3H3/q+1
InChIKeyPGHZCVSHTKXCBZ-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
butyl-(3-hydroxy-3-naphthalen-1-ylpropyl)-dimethylazanium iodide
CID 158490821
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol
CID 67658257
5-methoxy-1-naphthalen-1-ylpentan-1-ol
CID 112754213
5-chloro-1-naphthalen-1-ylpentan-1-ol
CID 102525591
2-butan-2-ylsulfanyl-1-naphthalen-1-ylethanol
CID 65136052
(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium
CID 88609613

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium (CID 91999379) is (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium is C[N+](C)(C)CC(O)c1cccc2ccccc12.
What is the InChIKey of (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium?
The InChIKey is PGHZCVSHTKXCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO/c1-16(2,3)11-15(17)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17H,11H2,1-3H3/q+1.
What are the key properties of (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium?
(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium has a molecular weight of 230.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium is sourced from PubChem (CID 91999379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).