N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine

C10H13NO2 — CID 82600111

IUPACN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
SMILESCC1Cc2cc(CNO)ccc2O1
InChIInChI=1S/C10H13NO2/c1-7-4-9-5-8(6-11-12)2-3-10(9)13-7/h2-3,5,7,11-12H,4,6H2,1H3
InChIKeyDMKBQMWZHCRSTR-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.49
Rot. Bonds2

About N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine (PubChem CID 82600111) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
PubChem CID82600111
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
SMILESCC1Cc2cc(CNO)ccc2O1
InChIInChI=1S/C10H13NO2/c1-7-4-9-5-8(6-11-12)2-3-10(9)13-7/h2-3,5,7,11-12H,4,6H2,1H3
InChIKeyDMKBQMWZHCRSTR-UHFFFAOYSA-N
XLogP1.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 104868177
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117203213
(3R)-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylamino]pentanoic acid
CID 166264602
1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 103109579
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine
CID 166375722
3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanenitrile
CID 84770407
2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide
CID 95131389
N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 65303126
(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
CID 124930456
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
CID 105471600

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine?
The IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine (CID 82600111) is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine is CC1Cc2cc(CNO)ccc2O1.
What is the InChIKey of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine?
The InChIKey is DMKBQMWZHCRSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-9-5-8(6-11-12)2-3-10(9)13-7/h2-3,5,7,11-12H,4,6H2,1H3.
What are the key properties of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine?
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 82600111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).