1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine

C18H23N3 — CID 110953982

IUPAC1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine
SMILESC/N=C(\NCc1ccccc1)NCC(C)c1ccccc1
InChIInChI=1S/C18H23N3/c1-15(17-11-7-4-8-12-17)13-20-18(19-2)21-14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyGSEPRBSUVZFRGP-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.16
Rot. Bonds5

About 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine

1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine (PubChem CID 110953982) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine
PubChem CID110953982
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine
SMILESC/N=C(\NCc1ccccc1)NCC(C)c1ccccc1
InChIInChI=1S/C18H23N3/c1-15(17-11-7-4-8-12-17)13-20-18(19-2)21-14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyGSEPRBSUVZFRGP-UHFFFAOYSA-N
XLogP3.16
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.16
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

1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 110953981
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342226
2-methyl-1-(2-phenylpropyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111343113
2-methyl-N-[4-[[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]methyl]phenyl]propanamide
CID 111342883
methyl N-[4-[[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111342240
1-benzyl-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine
CID 111790160
1-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342496
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342922
1-[(3-methoxy-4-methylphenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342303
N-[4-[[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111342994
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342612

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine?
The IUPAC name of 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine (CID 110953982) is 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine is C/N=C(\NCc1ccccc1)NCC(C)c1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine?
The InChIKey is GSEPRBSUVZFRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15(17-11-7-4-8-12-17)13-20-18(19-2)21-14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine?
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine has a molecular weight of 281.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine is sourced from PubChem (CID 110953982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).