3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline

C22H19N5 — CID 143239836

IUPAC3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline
SMILESCNc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(N)c3)n2)c1
InChIInChI=1S/C22H19N5/c1-24-19-12-6-10-17(14-19)22-26-20(15-7-3-2-4-8-15)25-21(27-22)16-9-5-11-18(23)13-16/h2-14,24H,23H2,1H3
InChIKeyJMDLNGSYPLMTFA-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.50
Rot. Bonds4

About 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline

3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline (PubChem CID 143239836) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound Name3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline
PubChem CID143239836
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline
SMILESCNc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(N)c3)n2)c1
InChIInChI=1S/C22H19N5/c1-24-19-12-6-10-17(14-19)22-26-20(15-7-3-2-4-8-15)25-21(27-22)16-9-5-11-18(23)13-16/h2-14,24H,23H2,1H3
InChIKeyJMDLNGSYPLMTFA-UHFFFAOYSA-N
XLogP4.50
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline?
The IUPAC name of 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline (CID 143239836) is 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline is CNc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(N)c3)n2)c1.
What is the InChIKey of 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline?
The InChIKey is JMDLNGSYPLMTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-24-19-12-6-10-17(14-19)22-26-20(15-7-3-2-4-8-15)25-21(27-22)16-9-5-11-18(23)13-16/h2-14,24H,23H2,1H3.
What are the key properties of 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline?
3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline has a molecular weight of 353.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 143239836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).