(Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine

C13H17NO3 — CID 54450222

IUPAC(Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine
SMILESC/C(=N/OCC1OCCO1)c1ccc(C)cc1
InChIInChI=1S/C13H17NO3/c1-10-3-5-12(6-4-10)11(2)14-17-9-13-15-7-8-16-13/h3-6,13H,7-9H2,1-2H3/b14-11-
InChIKeyWULBCNLSFDEIDQ-KAMYIIQDSA-N
MW235.28 g/mol
LogP2.11
Rot. Bonds4

About (Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine

(Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine (PubChem CID 54450222) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine.

Molecular Properties

Compound Name(Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine
PubChem CID54450222
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine
SMILESC/C(=N/OCC1OCCO1)c1ccc(C)cc1
InChIInChI=1S/C13H17NO3/c1-10-3-5-12(6-4-10)11(2)14-17-9-13-15-7-8-16-13/h3-6,13H,7-9H2,1-2H3/b14-11-
InChIKeyWULBCNLSFDEIDQ-KAMYIIQDSA-N
XLogP2.11
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine?
The IUPAC name of (Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine (CID 54450222) is (Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine.
What is the SMILES notation for (Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine?
The canonical SMILES for (Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine is C/C(=N/OCC1OCCO1)c1ccc(C)cc1.
What is the InChIKey of (Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine?
The InChIKey is WULBCNLSFDEIDQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-3-5-12(6-4-10)11(2)14-17-9-13-15-7-8-16-13/h3-6,13H,7-9H2,1-2H3/b14-11-.
What are the key properties of (Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine?
(Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine has a molecular weight of 235.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,3-dioxolan-2-ylmethoxy)-1-(4-methylphenyl)ethanimine is sourced from PubChem (CID 54450222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).