N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline

C25H23N3 — CID 141085353

IUPACN-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline
SMILESc1ccc(CNc2ccccc2-c2ccc(NCc3ccccn3)cc2)cc1
InChIInChI=1S/C25H23N3/c1-2-8-20(9-3-1)18-28-25-12-5-4-11-24(25)21-13-15-22(16-14-21)27-19-23-10-6-7-17-26-23/h1-17,27-28H,18-19H2
InChIKeyCFEZBAZGHRYMQS-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.97
Rot. Bonds7

About N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline

N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline (PubChem CID 141085353) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline.

Molecular Properties

Compound NameN-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline
PubChem CID141085353
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC NameN-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline
SMILESc1ccc(CNc2ccccc2-c2ccc(NCc3ccccn3)cc2)cc1
InChIInChI=1S/C25H23N3/c1-2-8-20(9-3-1)18-28-25-12-5-4-11-24(25)21-13-15-22(16-14-21)27-19-23-10-6-7-17-26-23/h1-17,27-28H,18-19H2
InChIKeyCFEZBAZGHRYMQS-UHFFFAOYSA-N
XLogP5.97
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794
2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
CID 140871795
[2-(pyridin-2-ylmethylamino)phenyl]methanol
CID 43743203
6-[(2-phenylanilino)methyl]pyridin-3-ol
CID 79781629
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline
CID 62749101
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N-(pyridin-2-ylmethyl)-1H-pyrrol-3-amine
CID 69193453
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylaniline
CID 79262883
2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
CID 163931246
CID 163931246

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline?
The IUPAC name of N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline (CID 141085353) is N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline.
What is the SMILES notation for N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline?
The canonical SMILES for N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline is c1ccc(CNc2ccccc2-c2ccc(NCc3ccccn3)cc2)cc1.
What is the InChIKey of N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline?
The InChIKey is CFEZBAZGHRYMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-2-8-20(9-3-1)18-28-25-12-5-4-11-24(25)21-13-15-22(16-14-21)27-19-23-10-6-7-17-26-23/h1-17,27-28H,18-19H2.
What are the key properties of N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline?
N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline has a molecular weight of 365.48 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(pyridin-2-ylmethylamino)phenyl]aniline is sourced from PubChem (CID 141085353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).