2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine

C19H26N4 — CID 111029250

IUPAC2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CC(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H26N4/c1-15-9-11-17(12-10-15)22-19(20)21-14-18(23(2)3)13-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H3,20,21,22)
InChIKeyQKRQSTQVRNYVSJ-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.89
Rot. Bonds6

About 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine

2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine (PubChem CID 111029250) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine
PubChem CID111029250
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CC(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H26N4/c1-15-9-11-17(12-10-15)22-19(20)21-14-18(23(2)3)13-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H3,20,21,22)
InChIKeyQKRQSTQVRNYVSJ-UHFFFAOYSA-N
XLogP2.89
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.89
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-(dimethylamino)-3-phenylpropyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111029235
2-[2-(dimethylamino)-3-phenylpropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111029219
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(dimethylamino)-3-phenylpropyl]guanidine
CID 111029292
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine
CID 111078721
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
CID 111757688
2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
CID 111099855
2-(2-methoxy-2-phenylethyl)-1-(4-methylphenyl)guanidine;hydroiodide
CID 111043587
1-(2,5-diethoxyphenyl)-2-[2-(dimethylamino)-3-phenylpropyl]guanidine;hydroiodide
CID 111029287
2-[2-(dimethylamino)-3-phenylpropyl]-1,3-diethylguanidine
CID 110924766
(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
CID 11971695
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111055254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine (CID 111029250) is 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/CC(Cc2ccccc2)N(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine?
The InChIKey is QKRQSTQVRNYVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-9-11-17(12-10-15)22-19(20)21-14-18(23(2)3)13-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine?
2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine has a molecular weight of 310.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111029250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).