2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine

C20H21N3 — CID 110452966

IUPAC2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C20H21N3/c1-23(2)20-6-4-3-5-19(20)22-18-9-7-16(8-10-18)15-17-11-13-21-14-12-17/h3-14,22H,15H2,1-2H3
InChIKeyMALBWYNUUUWCAW-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.48
Rot. Bonds5

About 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine (PubChem CID 110452966) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine
PubChem CID110452966
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C20H21N3/c1-23(2)20-6-4-3-5-19(20)22-18-9-7-16(8-10-18)15-17-11-13-21-14-12-17/h3-14,22H,15H2,1-2H3
InChIKeyMALBWYNUUUWCAW-UHFFFAOYSA-N
XLogP4.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine (CID 110452966) is 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine is CN(C)c1ccccc1Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine?
The InChIKey is MALBWYNUUUWCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-23(2)20-6-4-3-5-19(20)22-18-9-7-16(8-10-18)15-17-11-13-21-14-12-17/h3-14,22H,15H2,1-2H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine has a molecular weight of 303.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 110452966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).