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

C16H19N3 — CID 20811726

IUPAC1-phenyl-2-(1-phenylpropyl)guanidine
SMILESCCC(/N=C(\N)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N3/c1-2-15(13-9-5-3-6-10-13)19-16(17)18-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H3,17,18,19)
InChIKeyPMMYASUKBYDIHF-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.56
Rot. Bonds4

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

1-phenyl-2-(1-phenylpropyl)guanidine (PubChem CID 20811726) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-phenyl-2-(1-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(1-phenylpropyl)guanidine
PubChem CID20811726
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-phenyl-2-(1-phenylpropyl)guanidine
SMILESCCC(/N=C(\N)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N3/c1-2-15(13-9-5-3-6-10-13)19-16(17)18-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H3,17,18,19)
InChIKeyPMMYASUKBYDIHF-UHFFFAOYSA-N
XLogP3.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.56
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'}

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Related Compounds

2-(4-methylpentan-2-yl)-1-phenylguanidine
CID 62362763
1-(diaminomethylidene)-2-(1-phenylpropyl)guanidine
CID 15411052
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
CID 114159092
2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
CID 110918046
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
CID 55064252
1-phenyl-2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 114168040
1-(4-methoxyphenyl)-2-[2-(oxan-4-yl)-1-phenylethyl]guanidine;hydroiodide
CID 110027202
1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine
CID 63189528
2-dodecyl-1-phenylguanidine
CID 101076594

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-phenylpropyl)guanidine?
The IUPAC name of 1-phenyl-2-(1-phenylpropyl)guanidine (CID 20811726) is 1-phenyl-2-(1-phenylpropyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(1-phenylpropyl)guanidine?
The canonical SMILES for 1-phenyl-2-(1-phenylpropyl)guanidine is CCC(/N=C(\N)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1-phenylpropyl)guanidine?
The InChIKey is PMMYASUKBYDIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-15(13-9-5-3-6-10-13)19-16(17)18-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H3,17,18,19).
What are the key properties of 1-phenyl-2-(1-phenylpropyl)guanidine?
1-phenyl-2-(1-phenylpropyl)guanidine has a molecular weight of 253.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-phenylpropyl)guanidine is sourced from PubChem (CID 20811726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).