2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline

C15H16N2 — CID 155713746

IUPAC2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline
SMILES[H]/N=C/c1ccc(C)cc1Nc1cccc(C)c1
InChIInChI=1S/C15H16N2/c1-11-4-3-5-14(8-11)17-15-9-12(2)6-7-13(15)10-16/h3-10,16-17H,1-2H3/b16-10+
InChIKeyQOUQWORUQHAUCM-MHWRWJLKSA-N
MW224.31 g/mol
LogP4.04
Rot. Bonds3

About 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline

2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline (PubChem CID 155713746) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline
PubChem CID155713746
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline
SMILES[H]/N=C/c1ccc(C)cc1Nc1cccc(C)c1
InChIInChI=1S/C15H16N2/c1-11-4-3-5-14(8-11)17-15-9-12(2)6-7-13(15)10-16/h3-10,16-17H,1-2H3/b16-10+
InChIKeyQOUQWORUQHAUCM-MHWRWJLKSA-N
XLogP4.04
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 155713764
2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide
CID 155220408
[3-(5-bromo-2-methanimidoylanilino)phenyl]methanol
CID 145002743
N-(2-methanimidoyl-5-methylphenyl)ethanimine
CID 118350033
N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane
CID 145002499
ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline
CID 143562507
5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 134405282
N-(difluoromethyl)-2-methanimidoyl-4-methylaniline
CID 176988772
5-methyl-2-(3-methylanilino)benzoic acid
CID 19749262
2-diazenyl-5-methyl-N-phenylaniline
CID 146593829
N-ethenyl-3-methylaniline
CID 69480469
N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline
CID 146244733

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline?
The IUPAC name of 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline (CID 155713746) is 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline?
The canonical SMILES for 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline is [H]/N=C/c1ccc(C)cc1Nc1cccc(C)c1.
What is the InChIKey of 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline?
The InChIKey is QOUQWORUQHAUCM-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-4-3-5-14(8-11)17-15-9-12(2)6-7-13(15)10-16/h3-10,16-17H,1-2H3/b16-10+.
What are the key properties of 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline?
2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline has a molecular weight of 224.31 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 155713746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).