2-(2-phenoxypropyl)-1-phenylguanidine

C16H19N3O — CID 111179320

IUPAC2-(2-phenoxypropyl)-1-phenylguanidine
SMILESCC(C/N=C(\N)Nc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H19N3O/c1-13(20-15-10-6-3-7-11-15)12-18-16(17)19-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H3,17,18,19)
InChIKeyCFSBTGAXFMHWBF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-phenoxypropyl)-1-phenylguanidine

2-(2-phenoxypropyl)-1-phenylguanidine (PubChem CID 111179320) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2-phenoxypropyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-phenoxypropyl)-1-phenylguanidine
PubChem CID111179320
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2-phenoxypropyl)-1-phenylguanidine
SMILESCC(C/N=C(\N)Nc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H19N3O/c1-13(20-15-10-6-3-7-11-15)12-18-16(17)19-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H3,17,18,19)
InChIKeyCFSBTGAXFMHWBF-UHFFFAOYSA-N
XLogP2.88
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.88
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'}

Analyze 2-(2-phenoxypropyl)-1-phenylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111801523
2-[2-(3-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111465350
1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine
CID 111801526
2-[2-(4-fluorophenoxy)propyl]-1-(4-methylphenyl)guanidine
CID 111820308
1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine
CID 111801514
2-[2-(3-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine
CID 111821629
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111820519
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-[2-(2-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111821479
1-(3,5-dimethylphenyl)-2-[2-(3-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820505

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxypropyl)-1-phenylguanidine?
The IUPAC name of 2-(2-phenoxypropyl)-1-phenylguanidine (CID 111179320) is 2-(2-phenoxypropyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-phenoxypropyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-phenoxypropyl)-1-phenylguanidine is CC(C/N=C(\N)Nc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-(2-phenoxypropyl)-1-phenylguanidine?
The InChIKey is CFSBTGAXFMHWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13(20-15-10-6-3-7-11-15)12-18-16(17)19-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H3,17,18,19).
What are the key properties of 2-(2-phenoxypropyl)-1-phenylguanidine?
2-(2-phenoxypropyl)-1-phenylguanidine has a molecular weight of 269.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxypropyl)-1-phenylguanidine is sourced from PubChem (CID 111179320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).