1-(3-chlorophenyl)-2-methylguanidine

C8H10ClN3 — CID 19689601

IUPAC1-(3-chlorophenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1cccc(Cl)c1
InChIInChI=1S/C8H10ClN3/c1-11-8(10)12-7-4-2-3-6(9)5-7/h2-5H,1H3,(H3,10,11,12)
InChIKeyOBWCQARWOVVGRJ-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.70
Rot. Bonds1

About 1-(3-chlorophenyl)-2-methylguanidine

1-(3-chlorophenyl)-2-methylguanidine (PubChem CID 19689601) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methylguanidine
PubChem CID19689601
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name1-(3-chlorophenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1cccc(Cl)c1
InChIInChI=1S/C8H10ClN3/c1-11-8(10)12-7-4-2-3-6(9)5-7/h2-5H,1H3,(H3,10,11,12)
InChIKeyOBWCQARWOVVGRJ-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methylguanidine?
The IUPAC name of 1-(3-chlorophenyl)-2-methylguanidine (CID 19689601) is 1-(3-chlorophenyl)-2-methylguanidine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methylguanidine?
The canonical SMILES for 1-(3-chlorophenyl)-2-methylguanidine is C/N=C(\N)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-methylguanidine?
The InChIKey is OBWCQARWOVVGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-11-8(10)12-7-4-2-3-6(9)5-7/h2-5H,1H3,(H3,10,11,12).
What are the key properties of 1-(3-chlorophenyl)-2-methylguanidine?
1-(3-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-(3-chlorophenyl)-2-methylguanidine is sourced from PubChem (CID 19689601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).