2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline

C20H19N3 — CID 167217297

IUPAC2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline
SMILES[H]/N=C/c1cc(-c2cccc(C)c2-c2cccc(C)n2)ccc1N
InChIInChI=1S/C20H19N3/c1-13-5-3-7-17(15-9-10-18(22)16(11-15)12-21)20(13)19-8-4-6-14(2)23-19/h3-12,21H,22H2,1-2H3/b21-12+
InChIKeyDNDZFOUCHRMUFT-CIAFOILYSA-N
MW301.39 g/mol
LogP4.61
Rot. Bonds3

About 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline

2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline (PubChem CID 167217297) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline.

Molecular Properties

Compound Name2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline
PubChem CID167217297
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline
SMILES[H]/N=C/c1cc(-c2cccc(C)c2-c2cccc(C)n2)ccc1N
InChIInChI=1S/C20H19N3/c1-13-5-3-7-17(15-9-10-18(22)16(11-15)12-21)20(13)19-8-4-6-14(2)23-19/h3-12,21H,22H2,1-2H3/b21-12+
InChIKeyDNDZFOUCHRMUFT-CIAFOILYSA-N
XLogP4.61
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline?
The IUPAC name of 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline (CID 167217297) is 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline.
What is the SMILES notation for 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline?
The canonical SMILES for 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline is [H]/N=C/c1cc(-c2cccc(C)c2-c2cccc(C)n2)ccc1N.
What is the InChIKey of 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline?
The InChIKey is DNDZFOUCHRMUFT-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19N3/c1-13-5-3-7-17(15-9-10-18(22)16(11-15)12-21)20(13)19-8-4-6-14(2)23-19/h3-12,21H,22H2,1-2H3/b21-12+.
What are the key properties of 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline?
2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline has a molecular weight of 301.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline is sourced from PubChem (CID 167217297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).