1,2-bis(2-phenylethyl)guanidine

C17H21N3 — CID 111022877

IUPAC1,2-bis(2-phenylethyl)guanidine
SMILESN/C(=N\CCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H21N3/c18-17(19-13-11-15-7-3-1-4-8-15)20-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H3,18,19,20)
InChIKeyYAHLQKNHPKIQIZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.38
Rot. Bonds6

About 1,2-bis(2-phenylethyl)guanidine

1,2-bis(2-phenylethyl)guanidine (PubChem CID 111022877) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1,2-bis(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1,2-bis(2-phenylethyl)guanidine
PubChem CID111022877
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1,2-bis(2-phenylethyl)guanidine
SMILESN/C(=N\CCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H21N3/c18-17(19-13-11-15-7-3-1-4-8-15)20-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H3,18,19,20)
InChIKeyYAHLQKNHPKIQIZ-UHFFFAOYSA-N
XLogP2.38
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.38
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-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913
1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111028419
2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
CID 111078707
1-(2-phenylethyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039641
2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine
CID 111075809
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111037435
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-phenylethyl)guanidine?
The IUPAC name of 1,2-bis(2-phenylethyl)guanidine (CID 111022877) is 1,2-bis(2-phenylethyl)guanidine.
What is the SMILES notation for 1,2-bis(2-phenylethyl)guanidine?
The canonical SMILES for 1,2-bis(2-phenylethyl)guanidine is N/C(=N\CCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 1,2-bis(2-phenylethyl)guanidine?
The InChIKey is YAHLQKNHPKIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-17(19-13-11-15-7-3-1-4-8-15)20-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H3,18,19,20).
What are the key properties of 1,2-bis(2-phenylethyl)guanidine?
1,2-bis(2-phenylethyl)guanidine has a molecular weight of 267.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-phenylethyl)guanidine is sourced from PubChem (CID 111022877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).