1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine

C17H21N3O — CID 110893205

IUPAC1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
SMILESCC(C)Oc1ccc(C/N=C(\N)Nc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c1-13(2)21-16-10-8-14(9-11-16)12-19-17(18)20-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H3,18,19,20)
InChIKeyDLCDLOYWVOSXGQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.40
Rot. Bonds5

About 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine

1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine (PubChem CID 110893205) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
PubChem CID110893205
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
SMILESCC(C)Oc1ccc(C/N=C(\N)Nc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c1-13(2)21-16-10-8-14(9-11-16)12-19-17(18)20-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H3,18,19,20)
InChIKeyDLCDLOYWVOSXGQ-UHFFFAOYSA-N
XLogP3.40
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.40
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-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
2-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110924612
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111089855
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111089854
2-[(3-chlorophenyl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111024244
2-benzyl-1-phenylguanidine
CID 12910062
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111061075
1-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045350
2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111053425
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine?
The IUPAC name of 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine (CID 110893205) is 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine?
The canonical SMILES for 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine is CC(C)Oc1ccc(C/N=C(\N)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine?
The InChIKey is DLCDLOYWVOSXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(2)21-16-10-8-14(9-11-16)12-19-17(18)20-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H3,18,19,20).
What are the key properties of 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine?
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine has a molecular weight of 283.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine is sourced from PubChem (CID 110893205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).