O-(anthracen-2-ylmethyl)hydroxylamine

C15H13NO — CID 14420768

IUPACO-(anthracen-2-ylmethyl)hydroxylamine
SMILESNOCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H13NO/c16-17-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9H,10,16H2
InChIKeyMSEIGJPZHHPIED-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.38
Rot. Bonds2

About O-(anthracen-2-ylmethyl)hydroxylamine

O-(anthracen-2-ylmethyl)hydroxylamine (PubChem CID 14420768) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is O-(anthracen-2-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(anthracen-2-ylmethyl)hydroxylamine
PubChem CID14420768
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC NameO-(anthracen-2-ylmethyl)hydroxylamine
SMILESNOCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H13NO/c16-17-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9H,10,16H2
InChIKeyMSEIGJPZHHPIED-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-Naphthalenemethanol
CID 20908
9-Anthracenemethanol
CID 73848
1-Pyrenemethanol
CID 104977
12-Methylbenz(a)anthracene-7-methanol
CID 11285
2-Naphthalenemethanol
CID 74128
Benzo(a)pyrene-6-methanol
CID 30544
1-(1-Pyrenyl)ethanol
CID 119118
2-Pyrenemethanol
CID 146932
1-Sulfooxymethylpyrene
CID 131320
2-(Naphthalen-2-yl)oxirane
CID 30333
7-Methylbenz(a)anthracene-12-methanol
CID 11284
Benz(a)anthracene-7-methanol
CID 85290

Frequently Asked Questions

What is the IUPAC name of O-(anthracen-2-ylmethyl)hydroxylamine?
The IUPAC name of O-(anthracen-2-ylmethyl)hydroxylamine (CID 14420768) is O-(anthracen-2-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(anthracen-2-ylmethyl)hydroxylamine?
The canonical SMILES for O-(anthracen-2-ylmethyl)hydroxylamine is NOCc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of O-(anthracen-2-ylmethyl)hydroxylamine?
The InChIKey is MSEIGJPZHHPIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c16-17-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9H,10,16H2.
What are the key properties of O-(anthracen-2-ylmethyl)hydroxylamine?
O-(anthracen-2-ylmethyl)hydroxylamine has a molecular weight of 223.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(anthracen-2-ylmethyl)hydroxylamine is sourced from PubChem (CID 14420768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).