1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine

C9H13ClN4 — CID 107639638

IUPAC1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1cc(C)ccc1Cl
InChIInChI=1S/C9H13ClN4/c1-6-3-4-7(10)8(5-6)13-9(12-2)14-11/h3-5H,11H2,1-2H3,(H2,12,13,14)
InChIKeyVTDQQUGJSFHPAS-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.51
Rot. Bonds1

About 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine

1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine (PubChem CID 107639638) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine
PubChem CID107639638
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1cc(C)ccc1Cl
InChIInChI=1S/C9H13ClN4/c1-6-3-4-7(10)8(5-6)13-9(12-2)14-11/h3-5H,11H2,1-2H3,(H2,12,13,14)
InChIKeyVTDQQUGJSFHPAS-UHFFFAOYSA-N
XLogP1.51
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.51
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

N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide
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1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine
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2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine
CID 116511440
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
N-(2-chloro-5-methylphenyl)-3-methylbut-2-enamide
CID 130162808
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
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N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
N-(2-chloro-5-methylphenyl)-2,6-dihydroxybenzamide
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N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine (CID 107639638) is 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine is C/N=C(\NN)Nc1cc(C)ccc1Cl.
What is the InChIKey of 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine?
The InChIKey is VTDQQUGJSFHPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-6-3-4-7(10)8(5-6)13-9(12-2)14-11/h3-5H,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine?
1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine has a molecular weight of 212.68 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine is sourced from PubChem (CID 107639638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).