N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine

C19H17NO2 — CID 20990812

IUPACN-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine
SMILESON=Cc1c(OCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H17NO2/c21-20-14-18-17-9-5-4-8-16(17)10-11-19(18)22-13-12-15-6-2-1-3-7-15/h1-11,14,21H,12-13H2
InChIKeyPMFUBFKUZTXEHD-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.27
Rot. Bonds5

About N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine

N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine (PubChem CID 20990812) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine
PubChem CID20990812
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC NameN-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine
SMILESON=Cc1c(OCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H17NO2/c21-20-14-18-17-9-5-4-8-16(17)10-11-19(18)22-13-12-15-6-2-1-3-7-15/h1-11,14,21H,12-13H2
InChIKeyPMFUBFKUZTXEHD-UHFFFAOYSA-N
XLogP4.27
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
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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Related Compounds

N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate
CID 86662492
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87330983
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
CID 110840761
N-(4-bromophenyl)-1-(2-phenylmethoxynaphthalen-1-yl)methanimine
CID 4779325
(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 20985165

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine (CID 20990812) is N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine is ON=Cc1c(OCCc2ccccc2)ccc2ccccc12.
What is the InChIKey of N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine?
The InChIKey is PMFUBFKUZTXEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-20-14-18-17-9-5-4-8-16(17)10-11-19(18)22-13-12-15-6-2-1-3-7-15/h1-11,14,21H,12-13H2.
What are the key properties of N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine?
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine has a molecular weight of 291.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 20990812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).