N'-(2-methylphenyl)ethanimidamide

C9H12N2 — CID 12866780

IUPACN'-(2-methylphenyl)ethanimidamide
SMILESC/C(N)=N\c1ccccc1C
InChIInChI=1S/C9H12N2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3,(H2,10,11)
InChIKeyKDTWOFBQQCILRP-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.00
Rot. Bonds1

About N'-(2-methylphenyl)ethanimidamide

N'-(2-methylphenyl)ethanimidamide (PubChem CID 12866780) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N'-(2-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)ethanimidamide
PubChem CID12866780
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN'-(2-methylphenyl)ethanimidamide
SMILESC/C(N)=N\c1ccccc1C
InChIInChI=1S/C9H12N2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3,(H2,10,11)
InChIKeyKDTWOFBQQCILRP-UHFFFAOYSA-N
XLogP2.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)ethanimidamide?
The IUPAC name of N'-(2-methylphenyl)ethanimidamide (CID 12866780) is N'-(2-methylphenyl)ethanimidamide.
What is the SMILES notation for N'-(2-methylphenyl)ethanimidamide?
The canonical SMILES for N'-(2-methylphenyl)ethanimidamide is C/C(N)=N\c1ccccc1C.
What is the InChIKey of N'-(2-methylphenyl)ethanimidamide?
The InChIKey is KDTWOFBQQCILRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3,(H2,10,11).
What are the key properties of N'-(2-methylphenyl)ethanimidamide?
N'-(2-methylphenyl)ethanimidamide has a molecular weight of 148.21 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)ethanimidamide is sourced from PubChem (CID 12866780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).