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

C18H16N2O — CID 727037

IUPAC2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1ccccc1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C18H16N2O/c1-21-16-11-3-2-8-13(16)18-19-14-9-4-6-12-7-5-10-15(20-18)17(12)14/h2-11,18-20H,1H3
InChIKeyRKWAQGJGOUNZHN-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.38
Rot. Bonds2

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

2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine (PubChem CID 727037) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
PubChem CID727037
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1ccccc1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C18H16N2O/c1-21-16-11-3-2-8-13(16)18-19-14-9-4-6-12-7-5-10-15(20-18)17(12)14/h2-11,18-20H,1H3
InChIKeyRKWAQGJGOUNZHN-UHFFFAOYSA-N
XLogP4.38
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine (CID 727037) is 2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine is COc1ccccc1C1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is RKWAQGJGOUNZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-21-16-11-3-2-8-13(16)18-19-14-9-4-6-12-7-5-10-15(20-18)17(12)14/h2-11,18-20H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine?
2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 276.34 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 727037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).