[3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium

C19H30NO2+ — CID 5260368

IUPAC[3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]CC(O)COc1ccccc1C1CC2CCC1C2
InChIInChI=1S/C19H29NO2/c1-13(2)20-11-16(21)12-22-19-6-4-3-5-17(19)18-10-14-7-8-15(18)9-14/h3-6,13-16,18,20-21H,7-12H2,1-2H3/p+1
InChIKeyNACJSVRGPPMZRS-UHFFFAOYSA-O
MW304.45 g/mol
LogP2.30
Rot. Bonds7

About [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium

[3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium (PubChem CID 5260368) has the molecular formula C19H30NO2+ and a molecular weight of 304.45 g/mol. Its IUPAC name is [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
PubChem CID5260368
Molecular FormulaC19H30NO2+
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Name[3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]CC(O)COc1ccccc1C1CC2CCC1C2
InChIInChI=1S/C19H29NO2/c1-13(2)20-11-16(21)12-22-19-6-4-3-5-17(19)18-10-14-7-8-15(18)9-14/h3-6,13-16,18,20-21H,7-12H2,1-2H3/p+1
InChIKeyNACJSVRGPPMZRS-UHFFFAOYSA-O
XLogP2.30
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol
CID 101123780
(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
CID 43834240
[(2S)-3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6988830
[(2S)-3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7372980
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-propan-2-ylazanium;[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-propan-2-ylazanium;methanol;oxalate
CID 139201155
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63453271
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161
[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
CID 6922817
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7721871

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium?
The IUPAC name of [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium (CID 5260368) is [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium.
What is the SMILES notation for [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium?
The canonical SMILES for [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium is CC(C)[NH2+]CC(O)COc1ccccc1C1CC2CCC1C2.
What is the InChIKey of [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium?
The InChIKey is NACJSVRGPPMZRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29NO2/c1-13(2)20-11-16(21)12-22-19-6-4-3-5-17(19)18-10-14-7-8-15(18)9-14/h3-6,13-16,18,20-21H,7-12H2,1-2H3/p+1.
What are the key properties of [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium?
[3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium has a molecular weight of 304.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium is sourced from PubChem (CID 5260368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).