2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine

C18H24N4 — CID 111078721

IUPAC2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H24N4/c1-15-8-10-17(11-9-15)21-18(19)20-12-13-22(2)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H3,19,20,21)
InChIKeyLZQRWDMUSNTIDC-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine

2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine (PubChem CID 111078721) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine
PubChem CID111078721
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H24N4/c1-15-8-10-17(11-9-15)21-18(19)20-12-13-22(2)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H3,19,20,21)
InChIKeyLZQRWDMUSNTIDC-UHFFFAOYSA-N
XLogP2.85
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.85
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-[2-[benzyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111078698
2-[2-[benzyl(methyl)amino]ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111078731
2-[3-[benzyl(methyl)amino]propyl]-1-(4-methoxyphenyl)guanidine
CID 111034997
2-[3-[benzyl(methyl)amino]propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111035049
2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
CID 111078707
2-(3-benzylsulfonylpropyl)-1-(4-methylphenyl)guanidine
CID 111065202
2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine
CID 111029250
2-[7-(dimethylamino)heptyl]-1-(4-methylphenyl)guanidine
CID 111084897
3-[[amino-(4-methylanilino)methylidene]amino]-N,N-dimethylpropanamide
CID 111068206
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine
CID 111089141
2-[3-[benzyl(methyl)amino]butyl]-1-phenylguanidine;hydroiodide
CID 111549332

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine (CID 111078721) is 2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/CCN(C)Cc2ccccc2)cc1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine?
The InChIKey is LZQRWDMUSNTIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-15-8-10-17(11-9-15)21-18(19)20-12-13-22(2)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine?
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine has a molecular weight of 296.42 g/mol, XLogP of 2.85, 6 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-(4-methylphenyl)guanidine is sourced from PubChem (CID 111078721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).