1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine

C14H15NS — CID 15902891

IUPAC1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine
SMILESCc1ccc(/C=N/C(C)c2ccccc2)s1
InChIInChI=1S/C14H15NS/c1-11-8-9-14(16-11)10-15-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/b15-10+
InChIKeyAXPHYYCHFUIMID-XNTDXEJSSA-N
MW229.35 g/mol
LogP4.24
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine

1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine (PubChem CID 15902891) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine
PubChem CID15902891
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine
SMILESCc1ccc(/C=N/C(C)c2ccccc2)s1
InChIInChI=1S/C14H15NS/c1-11-8-9-14(16-11)10-15-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/b15-10+
InChIKeyAXPHYYCHFUIMID-XNTDXEJSSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine (CID 15902891) is 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine is Cc1ccc(/C=N/C(C)c2ccccc2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine?
The InChIKey is AXPHYYCHFUIMID-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H15NS/c1-11-8-9-14(16-11)10-15-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/b15-10+.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine?
1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine has a molecular weight of 229.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(1-phenylethyl)methanimine is sourced from PubChem (CID 15902891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).