2,2-bis(2-methylphenyl)ethanimidamide

C16H18N2 — CID 70095881

IUPAC2,2-bis(2-methylphenyl)ethanimidamide
SMILES[H]/N=C(\N)C(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C16H18N2/c1-11-7-3-5-9-13(11)15(16(17)18)14-10-6-4-8-12(14)2/h3-10,15H,1-2H3,(H3,17,18)
InChIKeyCRBUKXBANZKTLB-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.37
Rot. Bonds3

About 2,2-bis(2-methylphenyl)ethanimidamide

2,2-bis(2-methylphenyl)ethanimidamide (PubChem CID 70095881) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,2-bis(2-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2,2-bis(2-methylphenyl)ethanimidamide
PubChem CID70095881
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2,2-bis(2-methylphenyl)ethanimidamide
SMILES[H]/N=C(\N)C(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C16H18N2/c1-11-7-3-5-9-13(11)15(16(17)18)14-10-6-4-8-12(14)2/h3-10,15H,1-2H3,(H3,17,18)
InChIKeyCRBUKXBANZKTLB-UHFFFAOYSA-N
XLogP3.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
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 2,2-bis(2-methylphenyl)ethanimidamide?
The IUPAC name of 2,2-bis(2-methylphenyl)ethanimidamide (CID 70095881) is 2,2-bis(2-methylphenyl)ethanimidamide.
What is the SMILES notation for 2,2-bis(2-methylphenyl)ethanimidamide?
The canonical SMILES for 2,2-bis(2-methylphenyl)ethanimidamide is [H]/N=C(\N)C(c1ccccc1C)c1ccccc1C.
What is the InChIKey of 2,2-bis(2-methylphenyl)ethanimidamide?
The InChIKey is CRBUKXBANZKTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-11-7-3-5-9-13(11)15(16(17)18)14-10-6-4-8-12(14)2/h3-10,15H,1-2H3,(H3,17,18).
What are the key properties of 2,2-bis(2-methylphenyl)ethanimidamide?
2,2-bis(2-methylphenyl)ethanimidamide has a molecular weight of 238.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylphenyl)ethanimidamide is sourced from PubChem (CID 70095881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).