2-methanimidoyl-4-(4-methylphenyl)aniline

C14H14N2 — CID 145157204

IUPAC2-methanimidoyl-4-(4-methylphenyl)aniline
SMILES[H]/N=C/c1cc(-c2ccc(C)cc2)ccc1N
InChIInChI=1S/C14H14N2/c1-10-2-4-11(5-3-10)12-6-7-14(16)13(8-12)9-15/h2-9,15H,16H2,1H3/b15-9+
InChIKeyCCHLROCLPRSMCH-OQLLNIDSSA-N
MW210.28 g/mol
LogP3.24
Rot. Bonds2

About 2-methanimidoyl-4-(4-methylphenyl)aniline

2-methanimidoyl-4-(4-methylphenyl)aniline (PubChem CID 145157204) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methanimidoyl-4-(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-methanimidoyl-4-(4-methylphenyl)aniline
PubChem CID145157204
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-methanimidoyl-4-(4-methylphenyl)aniline
SMILES[H]/N=C/c1cc(-c2ccc(C)cc2)ccc1N
InChIInChI=1S/C14H14N2/c1-10-2-4-11(5-3-10)12-6-7-14(16)13(8-12)9-15/h2-9,15H,16H2,1H3/b15-9+
InChIKeyCCHLROCLPRSMCH-OQLLNIDSSA-N
XLogP3.24
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine
CID 143786948
ethane;2-methanimidoylbenzene-1,4-diamine
CID 143170721
2-methanimidoyl-4-methoxyaniline
CID 91224663
ethane;2-methanimidoyl-4-nitroaniline
CID 168895735
4-(aminomethyl)-2-methanimidoylaniline;ethane
CID 143089869
2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline
CID 167217297
5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
CID 123477606
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
4-(3-methanimidoyl-4-methoxyphenyl)phenol
CID 144875511
3-methanimidoyl-4-methylaniline
CID 142987257
4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline
CID 130373765

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-(4-methylphenyl)aniline?
The IUPAC name of 2-methanimidoyl-4-(4-methylphenyl)aniline (CID 145157204) is 2-methanimidoyl-4-(4-methylphenyl)aniline.
What is the SMILES notation for 2-methanimidoyl-4-(4-methylphenyl)aniline?
The canonical SMILES for 2-methanimidoyl-4-(4-methylphenyl)aniline is [H]/N=C/c1cc(-c2ccc(C)cc2)ccc1N.
What is the InChIKey of 2-methanimidoyl-4-(4-methylphenyl)aniline?
The InChIKey is CCHLROCLPRSMCH-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2/c1-10-2-4-11(5-3-10)12-6-7-14(16)13(8-12)9-15/h2-9,15H,16H2,1H3/b15-9+.
What are the key properties of 2-methanimidoyl-4-(4-methylphenyl)aniline?
2-methanimidoyl-4-(4-methylphenyl)aniline has a molecular weight of 210.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-(4-methylphenyl)aniline is sourced from PubChem (CID 145157204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).