O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride

C12H18ClNO3 — CID 53421243

IUPACO-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride
SMILESCl.NOCCC1CCOC(c2ccccc2)O1
InChIInChI=1S/C12H17NO3.ClH/c13-15-9-7-11-6-8-14-12(16-11)10-4-2-1-3-5-10;/h1-5,11-12H,6-9,13H2;1H
InChIKeyDEARUDSOUGHABZ-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.19
Rot. Bonds4

About O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride

O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride (PubChem CID 53421243) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride
PubChem CID53421243
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC NameO-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride
SMILESCl.NOCCC1CCOC(c2ccccc2)O1
InChIInChI=1S/C12H17NO3.ClH/c13-15-9-7-11-6-8-14-12(16-11)10-4-2-1-3-5-10;/h1-5,11-12H,6-9,13H2;1H
InChIKeyDEARUDSOUGHABZ-UHFFFAOYSA-N
XLogP2.19
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine
CID 53421244
2-[(2R,4S)-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 71456971
2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 53306707
ethyl 3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propanoate
CID 53306704
4-(oxiran-2-ylmethoxymethyl)-2-phenyl-1,3-dioxane
CID 163610147
4-(2-phenyl-1,3-dioxan-4-yl)butan-2-one
CID 134360383
N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine
CID 58287035
(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618
[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 16688961
2-[2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethoxy-dimethylsilane
CID 175588406
2-(4-butoxyphenyl)-4-pentyl-1,3-dioxane
CID 23041609
(2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane
CID 88986088

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride (CID 53421243) is O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride is Cl.NOCCC1CCOC(c2ccccc2)O1.
What is the InChIKey of O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride?
The InChIKey is DEARUDSOUGHABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3.ClH/c13-15-9-7-11-6-8-14-12(16-11)10-4-2-1-3-5-10;/h1-5,11-12H,6-9,13H2;1H.
What are the key properties of O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride?
O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride has a molecular weight of 259.73 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 53421243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).