1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine

C20H28N4 — CID 111803955

IUPAC1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
SMILESCc1ccc(N/C(N)=N/CC(C)(C)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H28N4/c1-15-10-12-18(13-11-15)23-19(21)22-14-20(3,4)24-16(2)17-8-6-5-7-9-17/h5-13,16,24H,14H2,1-4H3,(H3,21,22,23)
InChIKeyGOULKPQEQFHCJC-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.85
Rot. Bonds6

About 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine

1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine (PubChem CID 111803955) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
PubChem CID111803955
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
SMILESCc1ccc(N/C(N)=N/CC(C)(C)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H28N4/c1-15-10-12-18(13-11-15)23-19(21)22-14-20(3,4)24-16(2)17-8-6-5-7-9-17/h5-13,16,24H,14H2,1-4H3,(H3,21,22,23)
InChIKeyGOULKPQEQFHCJC-UHFFFAOYSA-N
XLogP3.85
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
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

1-(3,4-dimethoxyphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803947
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803961
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine
CID 111803971
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111803964
1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111111871
1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
CID 105412944
1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111803912
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111803927
2-(2-methoxy-2-phenylethyl)-1-(4-methylphenyl)guanidine;hydroiodide
CID 111043587
2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
CID 111459323
2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine
CID 63859317
4-methyl-N'-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111111877

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine?
The IUPAC name of 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine (CID 111803955) is 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine.
What is the SMILES notation for 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine?
The canonical SMILES for 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine is Cc1ccc(N/C(N)=N/CC(C)(C)NC(C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine?
The InChIKey is GOULKPQEQFHCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15-10-12-18(13-11-15)23-19(21)22-14-20(3,4)24-16(2)17-8-6-5-7-9-17/h5-13,16,24H,14H2,1-4H3,(H3,21,22,23).
What are the key properties of 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine?
1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine has a molecular weight of 324.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine is sourced from PubChem (CID 111803955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).