2-(3-methoxyphenyl)-1H-perimidine

C18H14N2O — CID 801496

IUPAC2-(3-methoxyphenyl)-1H-perimidine
SMILESCOc1cccc(C2=Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C18H14N2O/c1-21-14-8-2-7-13(11-14)18-19-15-9-3-5-12-6-4-10-16(20-18)17(12)15/h2-11H,1H3,(H,19,20)
InChIKeyIXRWBODDMURTIP-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.35
Rot. Bonds2

About 2-(3-methoxyphenyl)-1H-perimidine

2-(3-methoxyphenyl)-1H-perimidine (PubChem CID 801496) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1H-perimidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1H-perimidine
PubChem CID801496
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(3-methoxyphenyl)-1H-perimidine
SMILESCOc1cccc(C2=Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C18H14N2O/c1-21-14-8-2-7-13(11-14)18-19-15-9-3-5-12-6-4-10-16(20-18)17(12)15/h2-11H,1H3,(H,19,20)
InChIKeyIXRWBODDMURTIP-UHFFFAOYSA-N
XLogP4.35
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1H-perimidine?
The IUPAC name of 2-(3-methoxyphenyl)-1H-perimidine (CID 801496) is 2-(3-methoxyphenyl)-1H-perimidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1H-perimidine?
The canonical SMILES for 2-(3-methoxyphenyl)-1H-perimidine is COc1cccc(C2=Nc3cccc4cccc(c34)N2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1H-perimidine?
The InChIKey is IXRWBODDMURTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-21-14-8-2-7-13(11-14)18-19-15-9-3-5-12-6-4-10-16(20-18)17(12)15/h2-11H,1H3,(H,19,20).
What are the key properties of 2-(3-methoxyphenyl)-1H-perimidine?
2-(3-methoxyphenyl)-1H-perimidine has a molecular weight of 274.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1H-perimidine is sourced from PubChem (CID 801496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).