O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine

C12H17NO3 — CID 117319860

IUPACO-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
SMILESCc1c(CCON)cc2c(c1C)OCCO2
InChIInChI=1S/C12H17NO3/c1-8-9(2)12-11(14-5-6-15-12)7-10(8)3-4-16-13/h7H,3-6,13H2,1-2H3
InChIKeyJKSBLHFZNOWSTE-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.51
Rot. Bonds3

About O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine

O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine (PubChem CID 117319860) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
PubChem CID117319860
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameO-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
SMILESCc1c(CCON)cc2c(c1C)OCCO2
InChIInChI=1S/C12H17NO3/c1-8-9(2)12-11(14-5-6-15-12)7-10(8)3-4-16-13/h7H,3-6,13H2,1-2H3
InChIKeyJKSBLHFZNOWSTE-UHFFFAOYSA-N
XLogP1.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.51
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-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117298626
O-[2-(7-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydroxylamine
CID 117464904
O-[2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117464905
O-[2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydroxylamine
CID 117361182
O-[2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117437374
7-(2-aminooxyethyl)-5-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117366479
7-(2-aminooxyethyl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117329912
O-[2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117372291
O-[2-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethyl]hydroxylamine
CID 117326466
O-[(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117331328
O-[2-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethyl]hydroxylamine
CID 117364283
2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
CID 117317862

Frequently Asked Questions

What is the IUPAC name of O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine (CID 117319860) is O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine is Cc1c(CCON)cc2c(c1C)OCCO2.
What is the InChIKey of O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine?
The InChIKey is JKSBLHFZNOWSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-9(2)12-11(14-5-6-15-12)7-10(8)3-4-16-13/h7H,3-6,13H2,1-2H3.
What are the key properties of O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine?
O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine has a molecular weight of 223.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117319860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).