1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine

C10H14ClN3 — CID 6313

IUPAC1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccccc1Cl
InChIInChI=1S/C10H14ClN3/c1-12-10(13-2)14-7-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKeyJCHVEDXZLFQDSL-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.63
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine

1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine (PubChem CID 6313) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine
PubChem CID6313
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccccc1Cl
InChIInChI=1S/C10H14ClN3/c1-12-10(13-2)14-7-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKeyJCHVEDXZLFQDSL-UHFFFAOYSA-N
XLogP1.63
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bethanidine
CID 2368
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
N-(2-chlorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2996926
N-Benzyl-N'-(2-chlorobenzyl)thiourea
CID 7942984
[(2-Chlorophenyl)methyl]urea
CID 1484506
Benzenemethanamine, 2,6-dichloro-N-methyl-
CID 485433
2-[(2-Chlorophenyl)methyl]-1-(diaminomethylidene)guanidine
CID 11971703
5-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 44371599
4-Chloro-N,N'-dimethylbenzene-1-carboximidamide--hydrogen chloride (1/1)
CID 3027144
N-(2-chlorobenzyl)-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 935473
4-(2-Chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 44371633
Benzenemethanamine, N-butyl-2-chloro-
CID 485398

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine (CID 6313) is 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine?
The InChIKey is JCHVEDXZLFQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-12-10(13-2)14-7-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine?
1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine has a molecular weight of 211.70 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 6313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).