1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine

C20H17NO3 — CID 126111239

IUPAC1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine
SMILESCCOc1cc2c(cc1/C=N/c1ccc3ccccc3c1)OCO2
InChIInChI=1S/C20H17NO3/c1-2-22-18-11-20-19(23-13-24-20)10-16(18)12-21-17-8-7-14-5-3-4-6-15(14)9-17/h3-12H,2,13H2,1H3/b21-12+
InChIKeyKXQLLRNNLKPPJF-CIAFOILYSA-N
MW319.36 g/mol
LogP4.72
Rot. Bonds4

About 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine

1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine (PubChem CID 126111239) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine.

Molecular Properties

Compound Name1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine
PubChem CID126111239
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine
SMILESCCOc1cc2c(cc1/C=N/c1ccc3ccccc3c1)OCO2
InChIInChI=1S/C20H17NO3/c1-2-22-18-11-20-19(23-13-24-20)10-16(18)12-21-17-8-7-14-5-3-4-6-15(14)9-17/h3-12H,2,13H2,1H3/b21-12+
InChIKeyKXQLLRNNLKPPJF-CIAFOILYSA-N
XLogP4.72
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-N-phenylaniline
CID 126103096
N-(4-tert-butylphenyl)-1-(6-ethoxy-1,3-benzodioxol-5-yl)methanimine
CID 126110552
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 126111414
N-(4-bromo-3-methylphenyl)-1-(6-ethoxy-1,3-benzodioxol-5-yl)methanimine
CID 126102016
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4661039
1-(2-ethoxyphenyl)-N-(1H-indol-6-yl)methanimine
CID 19058665
methyl 3-[(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-2-methylbenzoate
CID 126101193
N-(4-ethoxyphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
CID 778938
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 126106659
4-chloro-3-[(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid
CID 126106200
1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine
CID 126101527

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine?
The IUPAC name of 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine (CID 126111239) is 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine.
What is the SMILES notation for 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine?
The canonical SMILES for 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine is CCOc1cc2c(cc1/C=N/c1ccc3ccccc3c1)OCO2.
What is the InChIKey of 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine?
The InChIKey is KXQLLRNNLKPPJF-CIAFOILYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-2-22-18-11-20-19(23-13-24-20)10-16(18)12-21-17-8-7-14-5-3-4-6-15(14)9-17/h3-12H,2,13H2,1H3/b21-12+.
What are the key properties of 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine?
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine has a molecular weight of 319.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine is sourced from PubChem (CID 126111239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).