2-(2-methylbenzenecarboximidoyl)aniline

C14H14N2 — CID 130017935

IUPAC2-(2-methylbenzenecarboximidoyl)aniline
SMILES[H]/N=C(\c1ccccc1C)c1ccccc1N
InChIInChI=1S/C14H14N2/c1-10-6-2-3-7-11(10)14(16)12-8-4-5-9-13(12)15/h2-9,16H,15H2,1H3/b16-14+
InChIKeyNOYXXFAWXLQYRN-JQIJEIRASA-N
MW210.28 g/mol
LogP2.99
Rot. Bonds2

About 2-(2-methylbenzenecarboximidoyl)aniline

2-(2-methylbenzenecarboximidoyl)aniline (PubChem CID 130017935) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-methylbenzenecarboximidoyl)aniline.

Molecular Properties

Compound Name2-(2-methylbenzenecarboximidoyl)aniline
PubChem CID130017935
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(2-methylbenzenecarboximidoyl)aniline
SMILES[H]/N=C(\c1ccccc1C)c1ccccc1N
InChIInChI=1S/C14H14N2/c1-10-6-2-3-7-11(10)14(16)12-8-4-5-9-13(12)15/h2-9,16H,15H2,1H3/b16-14+
InChIKeyNOYXXFAWXLQYRN-JQIJEIRASA-N
XLogP2.99
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 ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzenecarboximidoyl)aniline?
The IUPAC name of 2-(2-methylbenzenecarboximidoyl)aniline (CID 130017935) is 2-(2-methylbenzenecarboximidoyl)aniline.
What is the SMILES notation for 2-(2-methylbenzenecarboximidoyl)aniline?
The canonical SMILES for 2-(2-methylbenzenecarboximidoyl)aniline is [H]/N=C(\c1ccccc1C)c1ccccc1N.
What is the InChIKey of 2-(2-methylbenzenecarboximidoyl)aniline?
The InChIKey is NOYXXFAWXLQYRN-JQIJEIRASA-N. The full InChI is InChI=1S/C14H14N2/c1-10-6-2-3-7-11(10)14(16)12-8-4-5-9-13(12)15/h2-9,16H,15H2,1H3/b16-14+.
What are the key properties of 2-(2-methylbenzenecarboximidoyl)aniline?
2-(2-methylbenzenecarboximidoyl)aniline has a molecular weight of 210.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzenecarboximidoyl)aniline is sourced from PubChem (CID 130017935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).