2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline

C24H20N2 — CID 140871795

IUPAC2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
SMILESc1ccc(-c2ccccc2NCc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C24H20N2/c1-2-10-20(11-3-1)22-13-4-5-15-24(22)26-18-19-9-8-12-21(17-19)23-14-6-7-16-25-23/h1-17,26H,18H2
InChIKeyWKUCZIBJDISWTO-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.03
Rot. Bonds5

About 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline

2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline (PubChem CID 140871795) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
PubChem CID140871795
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
SMILESc1ccc(-c2ccccc2NCc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C24H20N2/c1-2-10-20(11-3-1)22-13-4-5-15-24(22)26-18-19-9-8-12-21(17-19)23-14-6-7-16-25-23/h1-17,26H,18H2
InChIKeyWKUCZIBJDISWTO-UHFFFAOYSA-N
XLogP6.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline?
The IUPAC name of 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline (CID 140871795) is 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline?
The canonical SMILES for 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline is c1ccc(-c2ccccc2NCc2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline?
The InChIKey is WKUCZIBJDISWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-2-10-20(11-3-1)22-13-4-5-15-24(22)26-18-19-9-8-12-21(17-19)23-14-6-7-16-25-23/h1-17,26H,18H2.
What are the key properties of 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline?
2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline has a molecular weight of 336.44 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 140871795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).