azane;3-phenyldioxane;hydrochloride

C10H16ClNO2 — CID 174853974

IUPACazane;3-phenyldioxane;hydrochloride
SMILESCl.N.c1ccc(C2CCCOO2)cc1
InChIInChI=1S/C10H12O2.ClH.H3N/c1-2-5-9(6-3-1)10-7-4-8-11-12-10;;/h1-3,5-6,10H,4,7-8H2;1H;1H3
InChIKeyCGOWRQAAAWSBRW-UHFFFAOYSA-N
MW217.70 g/mol
LogP3.05
Rot. Bonds1

About azane;3-phenyldioxane;hydrochloride

azane;3-phenyldioxane;hydrochloride (PubChem CID 174853974) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is azane;3-phenyldioxane;hydrochloride.

Molecular Properties

Compound Nameazane;3-phenyldioxane;hydrochloride
PubChem CID174853974
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Nameazane;3-phenyldioxane;hydrochloride
SMILESCl.N.c1ccc(C2CCCOO2)cc1
InChIInChI=1S/C10H12O2.ClH.H3N/c1-2-5-9(6-3-1)10-7-4-8-11-12-10;;/h1-3,5-6,10H,4,7-8H2;1H;1H3
InChIKeyCGOWRQAAAWSBRW-UHFFFAOYSA-N
XLogP3.05
TPSA53.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2R,3S)-2-phenyloxan-3-amine
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CID 66851888
(2R,6S)-6-phenyloxane-2-carbonitrile
CID 58035350
3,3-dimethyl-6-phenyloxan-2-one
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4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane
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Frequently Asked Questions

What is the IUPAC name of azane;3-phenyldioxane;hydrochloride?
The IUPAC name of azane;3-phenyldioxane;hydrochloride (CID 174853974) is azane;3-phenyldioxane;hydrochloride.
What is the SMILES notation for azane;3-phenyldioxane;hydrochloride?
The canonical SMILES for azane;3-phenyldioxane;hydrochloride is Cl.N.c1ccc(C2CCCOO2)cc1.
What is the InChIKey of azane;3-phenyldioxane;hydrochloride?
The InChIKey is CGOWRQAAAWSBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.ClH.H3N/c1-2-5-9(6-3-1)10-7-4-8-11-12-10;;/h1-3,5-6,10H,4,7-8H2;1H;1H3.
What are the key properties of azane;3-phenyldioxane;hydrochloride?
azane;3-phenyldioxane;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-phenyldioxane;hydrochloride is sourced from PubChem (CID 174853974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).