1-(4-chlorophenyl)-1-methylguanidine

C8H10ClN3 — CID 23423865

IUPAC1-(4-chlorophenyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3/c1-12(8(10)11)7-4-2-6(9)3-5-7/h2-5H,1H3,(H3,10,11)
InChIKeyBEGIOVGCDDIDMJ-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.67
Rot. Bonds1

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

1-(4-chlorophenyl)-1-methylguanidine (PubChem CID 23423865) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-methylguanidine
PubChem CID23423865
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name1-(4-chlorophenyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3/c1-12(8(10)11)7-4-2-6(9)3-5-7/h2-5H,1H3,(H3,10,11)
InChIKeyBEGIOVGCDDIDMJ-UHFFFAOYSA-N
XLogP1.67
TPSA53.11 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 ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-methylguanidine?
The IUPAC name of 1-(4-chlorophenyl)-1-methylguanidine (CID 23423865) is 1-(4-chlorophenyl)-1-methylguanidine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-methylguanidine?
The canonical SMILES for 1-(4-chlorophenyl)-1-methylguanidine is [H]/N=C(\N)N(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-methylguanidine?
The InChIKey is BEGIOVGCDDIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-12(8(10)11)7-4-2-6(9)3-5-7/h2-5H,1H3,(H3,10,11).
What are the key properties of 1-(4-chlorophenyl)-1-methylguanidine?
1-(4-chlorophenyl)-1-methylguanidine has a molecular weight of 183.64 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-methylguanidine is sourced from PubChem (CID 23423865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).