3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline

C25H22N2 — CID 174697572

IUPAC3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline
SMILESCc1cc(Cc2ccc(-c3ccccn3)cc2)cc(Nc2ccccc2)c1
InChIInChI=1S/C25H22N2/c1-19-15-21(18-24(16-19)27-23-7-3-2-4-8-23)17-20-10-12-22(13-11-20)25-9-5-6-14-26-25/h2-16,18,27H,17H2,1H3
InChIKeyKSKOOAPOUOJGFM-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.39
Rot. Bonds5

About 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline

3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline (PubChem CID 174697572) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline
PubChem CID174697572
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline
SMILESCc1cc(Cc2ccc(-c3ccccn3)cc2)cc(Nc2ccccc2)c1
InChIInChI=1S/C25H22N2/c1-19-15-21(18-24(16-19)27-23-7-3-2-4-8-23)17-20-10-12-22(13-11-20)25-9-5-6-14-26-25/h2-16,18,27H,17H2,1H3
InChIKeyKSKOOAPOUOJGFM-UHFFFAOYSA-N
XLogP6.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline?
The IUPAC name of 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline (CID 174697572) is 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline?
The canonical SMILES for 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline is Cc1cc(Cc2ccc(-c3ccccn3)cc2)cc(Nc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline?
The InChIKey is KSKOOAPOUOJGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-19-15-21(18-24(16-19)27-23-7-3-2-4-8-23)17-20-10-12-22(13-11-20)25-9-5-6-14-26-25/h2-16,18,27H,17H2,1H3.
What are the key properties of 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline?
3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline has a molecular weight of 350.47 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-5-[(4-pyridin-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 174697572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).