(Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine

C21H20ClNOS — CID 140746860

IUPAC(Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine
SMILESCSc1ccc(/C(=N/OCCCCl)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H20ClNOS/c1-25-18-12-10-17(11-13-18)21(23-24-15-5-14-22)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-13H,5,14-15H2,1H3/b23-21-
InChIKeyYTJIDPORJRFHPJ-LNVKXUELSA-N
MW369.92 g/mol
LogP5.96
Rot. Bonds7

About (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine

(Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine (PubChem CID 140746860) has the molecular formula C21H20ClNOS and a molecular weight of 369.92 g/mol. Its IUPAC name is (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine.

Molecular Properties

Compound Name(Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine
PubChem CID140746860
Molecular FormulaC21H20ClNOS
Molecular Weight369.92 g/mol
Exact Mass369.10
IUPAC Name(Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine
SMILESCSc1ccc(/C(=N/OCCCCl)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H20ClNOS/c1-25-18-12-10-17(11-13-18)21(23-24-15-5-14-22)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-13H,5,14-15H2,1H3/b23-21-
InChIKeyYTJIDPORJRFHPJ-LNVKXUELSA-N
XLogP5.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.92
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine?
The IUPAC name of (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine (CID 140746860) is (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine.
What is the SMILES notation for (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine?
The canonical SMILES for (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine is CSc1ccc(/C(=N/OCCCCl)c2cccc3ccccc23)cc1.
What is the InChIKey of (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine?
The InChIKey is YTJIDPORJRFHPJ-LNVKXUELSA-N. The full InChI is InChI=1S/C21H20ClNOS/c1-25-18-12-10-17(11-13-18)21(23-24-15-5-14-22)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-13H,5,14-15H2,1H3/b23-21-.
What are the key properties of (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine?
(Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine has a molecular weight of 369.92 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chloropropoxy)-1-(4-methylsulfanylphenyl)-1-naphthalen-1-ylmethanimine is sourced from PubChem (CID 140746860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).