2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine

C16H17N3 — CID 10753259

IUPAC2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H17N3/c17-16(18)19-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2,(H4,17,18,19)/b7-6+
InChIKeyONPCTOYZFVSGHH-VOTSOKGWSA-N
MW251.33 g/mol
LogP2.63
Rot. Bonds4

About 2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine

2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine (PubChem CID 10753259) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine
PubChem CID10753259
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H17N3/c17-16(18)19-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2,(H4,17,18,19)/b7-6+
InChIKeyONPCTOYZFVSGHH-VOTSOKGWSA-N
XLogP2.63
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.63
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-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine?
The IUPAC name of 2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine (CID 10753259) is 2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine?
The canonical SMILES for 2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine is NC(N)=NCc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine?
The InChIKey is ONPCTOYZFVSGHH-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H17N3/c17-16(18)19-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2,(H4,17,18,19)/b7-6+.
What are the key properties of 2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine?
2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine has a molecular weight of 251.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-2-phenylethenyl]phenyl]methyl]guanidine is sourced from PubChem (CID 10753259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).