N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide

C15H17N3 — CID 61363318

IUPACN-amino-2-(2-methylphenyl)-N'-phenylethanimidamide
SMILESCc1ccccc1C/C(=N/c1ccccc1)NN
InChIInChI=1S/C15H17N3/c1-12-7-5-6-8-13(12)11-15(18-16)17-14-9-3-2-4-10-14/h2-10H,11,16H2,1H3,(H,17,18)
InChIKeyIFCGSDOMXQAZTH-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.73
Rot. Bonds3

About N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide

N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide (PubChem CID 61363318) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide.

Molecular Properties

Compound NameN-amino-2-(2-methylphenyl)-N'-phenylethanimidamide
PubChem CID61363318
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-amino-2-(2-methylphenyl)-N'-phenylethanimidamide
SMILESCc1ccccc1C/C(=N/c1ccccc1)NN
InChIInChI=1S/C15H17N3/c1-12-7-5-6-8-13(12)11-15(18-16)17-14-9-3-2-4-10-14/h2-10H,11,16H2,1H3,(H,17,18)
InChIKeyIFCGSDOMXQAZTH-UHFFFAOYSA-N
XLogP2.73
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide?
The IUPAC name of N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide (CID 61363318) is N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide.
What is the SMILES notation for N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide?
The canonical SMILES for N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide is Cc1ccccc1C/C(=N/c1ccccc1)NN.
What is the InChIKey of N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide?
The InChIKey is IFCGSDOMXQAZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-12-7-5-6-8-13(12)11-15(18-16)17-14-9-3-2-4-10-14/h2-10H,11,16H2,1H3,(H,17,18).
What are the key properties of N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide?
N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide has a molecular weight of 239.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide is sourced from PubChem (CID 61363318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).