cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium

C20H28NO2+ — CID 6945163

IUPACcyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium
SMILESC[NH+](C[C@@H](O)COc1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C20H27NO2/c1-21(18-9-3-2-4-10-18)14-19(22)15-23-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,11-13,18-19,22H,2-4,9-10,14-15H2,1H3/p+1/t19-/m1/s1
InChIKeyPCEJUSXAMGFALJ-LJQANCHMSA-O
MW314.45 g/mol
LogP2.43
Rot. Bonds6

About cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium

cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium (PubChem CID 6945163) has the molecular formula C20H28NO2+ and a molecular weight of 314.45 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium
PubChem CID6945163
Molecular FormulaC20H28NO2+
Molecular Weight314.45 g/mol
Exact Mass314.21
IUPAC Namecyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium
SMILESC[NH+](C[C@@H](O)COc1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C20H27NO2/c1-21(18-9-3-2-4-10-18)14-19(22)15-23-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,11-13,18-19,22H,2-4,9-10,14-15H2,1H3/p+1/t19-/m1/s1
InChIKeyPCEJUSXAMGFALJ-LJQANCHMSA-O
XLogP2.43
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
CID 7452468
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
cyclohexyl-[(2R)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-methylazanium
CID 2359529
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
1-cyclohexyl-N-methyl-2-naphthalen-2-yloxyethanamine
CID 104748601
cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium
CID 2331104
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 110020401

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium?
The IUPAC name of cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium (CID 6945163) is cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium.
What is the SMILES notation for cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium?
The canonical SMILES for cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium is C[NH+](C[C@@H](O)COc1ccc2ccccc2c1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium?
The InChIKey is PCEJUSXAMGFALJ-LJQANCHMSA-O. The full InChI is InChI=1S/C20H27NO2/c1-21(18-9-3-2-4-10-18)14-19(22)15-23-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,11-13,18-19,22H,2-4,9-10,14-15H2,1H3/p+1/t19-/m1/s1.
What are the key properties of cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium?
cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium has a molecular weight of 314.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium is sourced from PubChem (CID 6945163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).