1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine

C13H12Cl2N4 — CID 116515439

IUPAC1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine
SMILESNN/C(=N\c1c(Cl)cccc1Cl)Nc1ccccc1
InChIInChI=1S/C13H12Cl2N4/c14-10-7-4-8-11(15)12(10)18-13(19-16)17-9-5-2-1-3-6-9/h1-8H,16H2,(H2,17,18,19)
InChIKeyDSOZMJIGUXWXKX-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.56
Rot. Bonds2

About 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine

1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine (PubChem CID 116515439) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine
PubChem CID116515439
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC Name1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine
SMILESNN/C(=N\c1c(Cl)cccc1Cl)Nc1ccccc1
InChIInChI=1S/C13H12Cl2N4/c14-10-7-4-8-11(15)12(10)18-13(19-16)17-9-5-2-1-3-6-9/h1-8H,16H2,(H2,17,18,19)
InChIKeyDSOZMJIGUXWXKX-UHFFFAOYSA-N
XLogP3.56
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(2-chloro-6-methylphenyl)-3-phenylguanidine
CID 116515718
1-amino-2-(2,3-dichlorophenyl)-3-phenylguanidine
CID 116512617
1-amino-2-(2-chloro-4-iodophenyl)-3-phenylguanidine
CID 107605071
N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline
CID 144792170
1-amino-3-(3-ethylphenyl)-2-phenylguanidine
CID 116512544
1-amino-2-isoquinolin-8-yl-3-phenylguanidine
CID 116515926
1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine
CID 116512239
1-amino-2-(2-fluoro-4-methylphenyl)-3-phenylguanidine
CID 116512637
1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine
CID 116515830
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-2-methyl-3-(3-phenoxyphenyl)guanidine
CID 116510859

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine (CID 116515439) is 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine is NN/C(=N\c1c(Cl)cccc1Cl)Nc1ccccc1.
What is the InChIKey of 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine?
The InChIKey is DSOZMJIGUXWXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/c14-10-7-4-8-11(15)12(10)18-13(19-16)17-9-5-2-1-3-6-9/h1-8H,16H2,(H2,17,18,19).
What are the key properties of 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine?
1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine has a molecular weight of 295.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine is sourced from PubChem (CID 116515439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).