1-amino-2-(4-chloro-2-methylphenyl)guanidine

C8H11ClN4 — CID 2826685

IUPAC1-amino-2-(4-chloro-2-methylphenyl)guanidine
SMILESCc1cc(Cl)ccc1/N=C(\N)NN
InChIInChI=1S/C8H11ClN4/c1-5-4-6(9)2-3-7(5)12-8(10)13-11/h2-4H,11H2,1H3,(H3,10,12,13)
InChIKeyPKNMORWOTIKCFJ-UHFFFAOYSA-N
MW198.66 g/mol
LogP1.06
Rot. Bonds1

About 1-amino-2-(4-chloro-2-methylphenyl)guanidine

1-amino-2-(4-chloro-2-methylphenyl)guanidine (PubChem CID 2826685) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 1-amino-2-(4-chloro-2-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(4-chloro-2-methylphenyl)guanidine
PubChem CID2826685
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name1-amino-2-(4-chloro-2-methylphenyl)guanidine
SMILESCc1cc(Cl)ccc1/N=C(\N)NN
InChIInChI=1S/C8H11ClN4/c1-5-4-6(9)2-3-7(5)12-8(10)13-11/h2-4H,11H2,1H3,(H3,10,12,13)
InChIKeyPKNMORWOTIKCFJ-UHFFFAOYSA-N
XLogP1.06
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.06
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

Chlordimeform
CID 22544
Chlordimeform hydrochloride
CID 12336279
(4-Chloro-2-methylanilino)thiourea
CID 2826085
N-(4-chloro-2-cyanophenyl)imidodicarbonimidic diamide
CID 2730570
N-(5-chloro-2-methylphenyl)imidodicarbonimidic diamide
CID 2969603
N-(3-chloro-2-methylphenyl)imidodicarbonimidic diamide
CID 2943181
Unii-3YI7CT6416
CID 29765
N,N-Didemethylchlordimeform
CID 42141
4-Chloro-2-tolylhydrazine hydrochloride
CID 3084321
(4-Chloro-2-methylphenyl)hydrazine
CID 587842
Imidodicarbonimidic diamide, N-(4-chloro-2-methylphenyl)-
CID 2725584
1-(4-Chloro-o-tolyl)biguanide monohydrochloride
CID 2725583

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-chloro-2-methylphenyl)guanidine?
The IUPAC name of 1-amino-2-(4-chloro-2-methylphenyl)guanidine (CID 2826685) is 1-amino-2-(4-chloro-2-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-(4-chloro-2-methylphenyl)guanidine?
The canonical SMILES for 1-amino-2-(4-chloro-2-methylphenyl)guanidine is Cc1cc(Cl)ccc1/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(4-chloro-2-methylphenyl)guanidine?
The InChIKey is PKNMORWOTIKCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c1-5-4-6(9)2-3-7(5)12-8(10)13-11/h2-4H,11H2,1H3,(H3,10,12,13).
What are the key properties of 1-amino-2-(4-chloro-2-methylphenyl)guanidine?
1-amino-2-(4-chloro-2-methylphenyl)guanidine has a molecular weight of 198.66 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-chloro-2-methylphenyl)guanidine is sourced from PubChem (CID 2826685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).