N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine

C17H13NOS — CID 23996871

IUPACN-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine
SMILESC(=N/c1ccccc1Oc1ccccc1)\c1ccsc1
InChIInChI=1S/C17H13NOS/c1-2-6-15(7-3-1)19-17-9-5-4-8-16(17)18-12-14-10-11-20-13-14/h1-13H/b18-12+
InChIKeySLCPEIDRTTULEE-LDADJPATSA-N
MW279.36 g/mol
LogP5.29
Rot. Bonds4

About N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine

N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine (PubChem CID 23996871) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine
PubChem CID23996871
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC NameN-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine
SMILESC(=N/c1ccccc1Oc1ccccc1)\c1ccsc1
InChIInChI=1S/C17H13NOS/c1-2-6-15(7-3-1)19-17-9-5-4-8-16(17)18-12-14-10-11-20-13-14/h1-13H/b18-12+
InChIKeySLCPEIDRTTULEE-LDADJPATSA-N
XLogP5.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine?
The IUPAC name of N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine (CID 23996871) is N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine.
What is the SMILES notation for N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine?
The canonical SMILES for N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine is C(=N/c1ccccc1Oc1ccccc1)\c1ccsc1.
What is the InChIKey of N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine?
The InChIKey is SLCPEIDRTTULEE-LDADJPATSA-N. The full InChI is InChI=1S/C17H13NOS/c1-2-6-15(7-3-1)19-17-9-5-4-8-16(17)18-12-14-10-11-20-13-14/h1-13H/b18-12+.
What are the key properties of N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine?
N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine has a molecular weight of 279.36 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine is sourced from PubChem (CID 23996871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).