2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine

C22H21N3 — CID 14771691

IUPAC2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine
SMILESCc1ccccc1/N=C(\N)Nc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)/b16-15+
InChIKeyGDFHXFJBKUMHMG-FOCLMDBBSA-N
MW327.43 g/mol
LogP5.22
Rot. Bonds4

About 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine

2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine (PubChem CID 14771691) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine
PubChem CID14771691
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine
SMILESCc1ccccc1/N=C(\N)Nc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)/b16-15+
InChIKeyGDFHXFJBKUMHMG-FOCLMDBBSA-N
XLogP5.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.22
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine?
The IUPAC name of 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine (CID 14771691) is 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine.
What is the SMILES notation for 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine?
The canonical SMILES for 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine is Cc1ccccc1/N=C(\N)Nc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine?
The InChIKey is GDFHXFJBKUMHMG-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)/b16-15+.
What are the key properties of 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine?
2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine has a molecular weight of 327.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[2-[(E)-2-phenylethenyl]phenyl]guanidine is sourced from PubChem (CID 14771691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).