N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine

C17H15NO2 — CID 85158503

IUPACN-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
SMILESON=CC1=Cc2cccc(Oc3ccccc3)c2CC1
InChIInChI=1S/C17H15NO2/c19-18-12-13-9-10-16-14(11-13)5-4-8-17(16)20-15-6-2-1-3-7-15/h1-8,11-12,19H,9-10H2
InChIKeyGWSUOGHXZQHCAU-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.27
Rot. Bonds3

About N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine

N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine (PubChem CID 85158503) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
PubChem CID85158503
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
SMILESON=CC1=Cc2cccc(Oc3ccccc3)c2CC1
InChIInChI=1S/C17H15NO2/c19-18-12-13-9-10-16-14(11-13)5-4-8-17(16)20-15-6-2-1-3-7-15/h1-8,11-12,19H,9-10H2
InChIKeyGWSUOGHXZQHCAU-UHFFFAOYSA-N
XLogP4.27
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine (CID 85158503) is N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine is ON=CC1=Cc2cccc(Oc3ccccc3)c2CC1.
What is the InChIKey of N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine?
The InChIKey is GWSUOGHXZQHCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-18-12-13-9-10-16-14(11-13)5-4-8-17(16)20-15-6-2-1-3-7-15/h1-8,11-12,19H,9-10H2.
What are the key properties of N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine?
N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine has a molecular weight of 265.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 85158503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).