2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine

C19H26N4 — CID 111078707

IUPAC2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
SMILESCN(CC/N=C(\N)NCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H26N4/c1-23(16-18-10-6-3-7-11-18)15-14-22-19(20)21-13-12-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H3,20,21,22)
InChIKeyFDKPATXVSUFZGG-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.27
Rot. Bonds8

About 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine

2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine (PubChem CID 111078707) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
PubChem CID111078707
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
SMILESCN(CC/N=C(\N)NCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H26N4/c1-23(16-18-10-6-3-7-11-18)15-14-22-19(20)21-13-12-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H3,20,21,22)
InChIKeyFDKPATXVSUFZGG-UHFFFAOYSA-N
XLogP2.27
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.27
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-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine 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

1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111066358
2-[3-(diethylamino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111025347
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine
CID 111078721
1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111078755
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
2-[3-(2-fluoro-N-methylanilino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111077592
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-(2-tert-butylsulfinylethyl)-1-(2-phenylethyl)guanidine;hydroiodide
CID 111811525
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111037435

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine (CID 111078707) is 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine is CN(CC/N=C(\N)NCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine?
The InChIKey is FDKPATXVSUFZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-23(16-18-10-6-3-7-11-18)15-14-22-19(20)21-13-12-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H3,20,21,22).
What are the key properties of 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine?
2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine has a molecular weight of 310.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111078707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).