2-benzyl-1-[2-(dimethylamino)phenyl]guanidine

C16H20N4 — CID 130568032

IUPAC2-benzyl-1-[2-(dimethylamino)phenyl]guanidine
SMILESCN(C)c1ccccc1N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C16H20N4/c1-20(2)15-11-7-6-10-14(15)19-16(17)18-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H3,17,18,19)
InChIKeyRBMYJKCVLMBKRA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.68
Rot. Bonds4

About 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine

2-benzyl-1-[2-(dimethylamino)phenyl]guanidine (PubChem CID 130568032) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-[2-(dimethylamino)phenyl]guanidine
PubChem CID130568032
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-benzyl-1-[2-(dimethylamino)phenyl]guanidine
SMILESCN(C)c1ccccc1N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C16H20N4/c1-20(2)15-11-7-6-10-14(15)19-16(17)18-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H3,17,18,19)
InChIKeyRBMYJKCVLMBKRA-UHFFFAOYSA-N
XLogP2.68
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.68
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'}

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Related Compounds

2-benzyl-1-phenylguanidine
CID 12910062
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine
CID 20609172
2-benzyl-1-(2,5-difluorophenyl)guanidine
CID 130567646
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
2-[[4-(dimethylamino)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720749
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033131
2-benzyl-1-iodoguanidine;sulfuric acid
CID 88653570
2-benzyl-1-propan-2-yloxyguanidine
CID 130964833
2-benzyl-1-(4-methylsulfonylphenyl)guanidine
CID 130567654
2-benzyl-1-(1-methylsulfanylpropan-2-yl)guanidine
CID 130557169

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine?
The IUPAC name of 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine (CID 130568032) is 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine.
What is the SMILES notation for 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine?
The canonical SMILES for 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine is CN(C)c1ccccc1N/C(N)=N/Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine?
The InChIKey is RBMYJKCVLMBKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20(2)15-11-7-6-10-14(15)19-16(17)18-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine?
2-benzyl-1-[2-(dimethylamino)phenyl]guanidine has a molecular weight of 268.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[2-(dimethylamino)phenyl]guanidine is sourced from PubChem (CID 130568032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).