N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C18H19NO — CID 85168122

IUPACN-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESON=C1CCCc2cc(CCc3ccccc3)ccc21
InChIInChI=1S/C18H19NO/c20-19-18-8-4-7-16-13-15(11-12-17(16)18)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-13,20H,4,7-10H2
InChIKeyNHANYYQSPKKVJY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.99
Rot. Bonds3

About N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 85168122) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID85168122
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESON=C1CCCc2cc(CCc3ccccc3)ccc21
InChIInChI=1S/C18H19NO/c20-19-18-8-4-7-16-13-15(11-12-17(16)18)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-13,20H,4,7-10H2
InChIKeyNHANYYQSPKKVJY-UHFFFAOYSA-N
XLogP3.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 85168122) is N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is ON=C1CCCc2cc(CCc3ccccc3)ccc21.
What is the InChIKey of N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is NHANYYQSPKKVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-19-18-8-4-7-16-13-15(11-12-17(16)18)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-13,20H,4,7-10H2.
What are the key properties of N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 265.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 85168122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).