2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine

C19H23N3O — CID 111811754

IUPAC2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/CC=Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O/c1-15(2)23-18-12-10-17(11-13-18)22-19(20)21-14-6-9-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H3,20,21,22)
InChIKeyVBTABQSLHVQKAU-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.91
Rot. Bonds6

About 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine

2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine (PubChem CID 111811754) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine.

Molecular Properties

Compound Name2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine
PubChem CID111811754
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/CC=Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O/c1-15(2)23-18-12-10-17(11-13-18)22-19(20)21-14-6-9-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H3,20,21,22)
InChIKeyVBTABQSLHVQKAU-UHFFFAOYSA-N
XLogP3.91
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
2-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111029804
2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111813701
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
1-(3-chloro-4-methoxyphenyl)-2-(3-phenylprop-2-enyl)guanidine;hydroiodide
CID 111811765
2-(2-hydroxy-3-phenylmethoxypropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111058019
2-[3-(2-phenylethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111074342
2-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111061464
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111034506
2-[3-[benzyl(methyl)amino]propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111035049
1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
CID 168849749

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The IUPAC name of 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine (CID 111811754) is 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine.
What is the SMILES notation for 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The canonical SMILES for 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine is CC(C)Oc1ccc(N/C(N)=N/CC=Cc2ccccc2)cc1.
What is the InChIKey of 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The InChIKey is VBTABQSLHVQKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15(2)23-18-12-10-17(11-13-18)22-19(20)21-14-6-9-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine?
2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine has a molecular weight of 309.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine is sourced from PubChem (CID 111811754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).