1-phenyl-2-(3-phenylpropyl)guanidine

C16H19N3 — CID 62362092

IUPAC1-phenyl-2-(3-phenylpropyl)guanidine
SMILESN/C(=N\CCCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H19N3/c17-16(19-15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H3,17,18,19)
InChIKeyPFSWXUFUZXIYKG-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.05
Rot. Bonds5

About 1-phenyl-2-(3-phenylpropyl)guanidine

1-phenyl-2-(3-phenylpropyl)guanidine (PubChem CID 62362092) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(3-phenylpropyl)guanidine
PubChem CID62362092
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-phenyl-2-(3-phenylpropyl)guanidine
SMILESN/C(=N\CCCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H19N3/c17-16(19-15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H3,17,18,19)
InChIKeyPFSWXUFUZXIYKG-UHFFFAOYSA-N
XLogP3.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111024907
2-benzyl-1-phenylguanidine
CID 12910062
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
2-dodecyl-1-phenylguanidine
CID 101076594
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
2-(5-methylhexyl)-1-phenylguanidine;hydroiodide
CID 111456334
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
CID 110926253
2-[3-[di(propan-2-yl)amino]propyl]-1-phenylguanidine
CID 111542714

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenylpropyl)guanidine?
The IUPAC name of 1-phenyl-2-(3-phenylpropyl)guanidine (CID 62362092) is 1-phenyl-2-(3-phenylpropyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(3-phenylpropyl)guanidine?
The canonical SMILES for 1-phenyl-2-(3-phenylpropyl)guanidine is N/C(=N\CCCc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-phenylpropyl)guanidine?
The InChIKey is PFSWXUFUZXIYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-16(19-15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H3,17,18,19).
What are the key properties of 1-phenyl-2-(3-phenylpropyl)guanidine?
1-phenyl-2-(3-phenylpropyl)guanidine has a molecular weight of 253.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-phenylpropyl)guanidine is sourced from PubChem (CID 62362092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).