N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine

C18H17NO2 — CID 85289014

IUPACN-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
SMILESON=CC1=Cc2cc(OCc3ccccc3)ccc2CC1
InChIInChI=1S/C18H17NO2/c20-19-12-15-6-7-16-8-9-18(11-17(16)10-15)21-13-14-4-2-1-3-5-14/h1-5,8-12,20H,6-7,13H2
InChIKeyVFYWYIFZUURFSN-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.06
Rot. Bonds4

About N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine

N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine (PubChem CID 85289014) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
PubChem CID85289014
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
SMILESON=CC1=Cc2cc(OCc3ccccc3)ccc2CC1
InChIInChI=1S/C18H17NO2/c20-19-12-15-6-7-16-8-9-18(11-17(16)10-15)21-13-14-4-2-1-3-5-14/h1-5,8-12,20H,6-7,13H2
InChIKeyVFYWYIFZUURFSN-UHFFFAOYSA-N
XLogP4.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.06
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-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine (CID 85289014) is N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine is ON=CC1=Cc2cc(OCc3ccccc3)ccc2CC1.
What is the InChIKey of N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine?
The InChIKey is VFYWYIFZUURFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-19-12-15-6-7-16-8-9-18(11-17(16)10-15)21-13-14-4-2-1-3-5-14/h1-5,8-12,20H,6-7,13H2.
What are the key properties of N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine?
N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine has a molecular weight of 279.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 85289014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).