N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine

C14H15NOS — CID 76608219

IUPACN-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine
SMILESCCON=C(c1ccc(C)cc1)c1ccsc1
InChIInChI=1S/C14H15NOS/c1-3-16-15-14(13-8-9-17-10-13)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3
InChIKeyKVCLCYWXXDAKBS-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.85
Rot. Bonds4

About N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine

N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine (PubChem CID 76608219) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine.

Molecular Properties

Compound NameN-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine
PubChem CID76608219
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine
SMILESCCON=C(c1ccc(C)cc1)c1ccsc1
InChIInChI=1S/C14H15NOS/c1-3-16-15-14(13-8-9-17-10-13)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3
InChIKeyKVCLCYWXXDAKBS-UHFFFAOYSA-N
XLogP3.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine?
The IUPAC name of N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine (CID 76608219) is N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine.
What is the SMILES notation for N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine?
The canonical SMILES for N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine is CCON=C(c1ccc(C)cc1)c1ccsc1.
What is the InChIKey of N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine?
The InChIKey is KVCLCYWXXDAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-3-16-15-14(13-8-9-17-10-13)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3.
What are the key properties of N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine?
N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine has a molecular weight of 245.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine is sourced from PubChem (CID 76608219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).