1-(4-chlorophenyl)-2-methylguanidine

C8H10ClN3 — CID 20543496

IUPAC1-(4-chlorophenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5H,1H3,(H3,10,11,12)
InChIKeyHRKXQOBEXVFOTB-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.70
Rot. Bonds1

About 1-(4-chlorophenyl)-2-methylguanidine

1-(4-chlorophenyl)-2-methylguanidine (PubChem CID 20543496) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methylguanidine
PubChem CID20543496
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name1-(4-chlorophenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5H,1H3,(H3,10,11,12)
InChIKeyHRKXQOBEXVFOTB-UHFFFAOYSA-N
XLogP1.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.70
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'}

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Related Compounds

1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine
CID 161322573
2-methyl-1-(4-methylsulfanylphenyl)guanidine
CID 62380340
1-[4-(dimethylamino)phenyl]-2-methylguanidine
CID 62381292
1-[4-(difluoromethylsulfanyl)phenyl]-2-methylguanidine
CID 62380007
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
N-(4-chlorophenyl)-N'-methylbut-2-enimidamide
CID 123435966
1-[amino-[methyl(propan-2-yl)amino]methylidene]-3-(4-chlorophenyl)-2-methylguanidine
CID 154377880
N-[4-[[N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]phenyl]acetamide
CID 54149924
3-[4-[(N'-methylcarbamimidoyl)amino]phenyl]propanoic acid
CID 68909409
1-(3-bromo-4-methylphenyl)-2-methylguanidine
CID 63334511

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methylguanidine?
The IUPAC name of 1-(4-chlorophenyl)-2-methylguanidine (CID 20543496) is 1-(4-chlorophenyl)-2-methylguanidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methylguanidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methylguanidine is C/N=C(\N)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methylguanidine?
The InChIKey is HRKXQOBEXVFOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5H,1H3,(H3,10,11,12).
What are the key properties of 1-(4-chlorophenyl)-2-methylguanidine?
1-(4-chlorophenyl)-2-methylguanidine has a molecular weight of 183.64 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methylguanidine is sourced from PubChem (CID 20543496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).