1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine

C15H24Cl2N4 — CID 111197818

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
SMILESC/N=C(/NCc1ccc(Cl)cc1Cl)NCC(C)(C)N(C)C
InChIInChI=1S/C15H24Cl2N4/c1-15(2,21(4)5)10-20-14(18-3)19-9-11-6-7-12(16)8-13(11)17/h6-8H,9-10H2,1-5H3,(H2,18,19,20)
InChIKeySRSAFGKGSYWFPI-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.00
Rot. Bonds5

About 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine

1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine (PubChem CID 111197818) has the molecular formula C15H24Cl2N4 and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
PubChem CID111197818
Molecular FormulaC15H24Cl2N4
Molecular Weight331.29 g/mol
Exact Mass330.14
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
SMILESC/N=C(/NCc1ccc(Cl)cc1Cl)NCC(C)(C)N(C)C
InChIInChI=1S/C15H24Cl2N4/c1-15(2,21(4)5)10-20-14(18-3)19-9-11-6-7-12(16)8-13(11)17/h6-8H,9-10H2,1-5H3,(H2,18,19,20)
InChIKeySRSAFGKGSYWFPI-UHFFFAOYSA-N
XLogP3.00
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.00
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

1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111176819
1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111197785
1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 110893037
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylguanidine
CID 111197584
N-[2-[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111198153
1-[(2,4-dichlorophenyl)methyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111197463
1-[2-(3-chlorophenyl)ethyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
CID 111357728
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[(2,4-dichlorophenyl)methyl]-2-methylguanidine
CID 111197586
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111197476
methyl 3-[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111197790
4-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111197674
methyl 3-[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111197789

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine (CID 111197818) is 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine is C/N=C(/NCc1ccc(Cl)cc1Cl)NCC(C)(C)N(C)C.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine?
The InChIKey is SRSAFGKGSYWFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N4/c1-15(2,21(4)5)10-20-14(18-3)19-9-11-6-7-12(16)8-13(11)17/h6-8H,9-10H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine?
1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine has a molecular weight of 331.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine is sourced from PubChem (CID 111197818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).