O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine

C10H13NO2 — CID 117202822

IUPACO-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine
SMILESCc1ccc2c(c1)OC(CON)C2
InChIInChI=1S/C10H13NO2/c1-7-2-3-8-5-9(6-12-11)13-10(8)4-7/h2-4,9H,5-6,11H2,1H3
InChIKeyRTARYDUCEYUOBI-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.19
Rot. Bonds2

About O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine

O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine (PubChem CID 117202822) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine
PubChem CID117202822
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameO-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine
SMILESCc1ccc2c(c1)OC(CON)C2
InChIInChI=1S/C10H13NO2/c1-7-2-3-8-5-9(6-12-11)13-10(8)4-7/h2-4,9H,5-6,11H2,1H3
InChIKeyRTARYDUCEYUOBI-UHFFFAOYSA-N
XLogP1.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
CID 117202827
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)acetamide
CID 121345059
2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 145338313
2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol
CID 58571261
2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 70332550
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine
CID 66362925
4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 66362667
2-[(2-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360595
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360807
2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
CID 102902368
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760

Frequently Asked Questions

What is the IUPAC name of O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine (CID 117202822) is O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine is Cc1ccc2c(c1)OC(CON)C2.
What is the InChIKey of O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine?
The InChIKey is RTARYDUCEYUOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-2-3-8-5-9(6-12-11)13-10(8)4-7/h2-4,9H,5-6,11H2,1H3.
What are the key properties of O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine?
O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 117202822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).