2-(3-chloro-2-methylphenyl)guanidine

C8H10ClN3 — CID 45496576

IUPAC2-(3-chloro-2-methylphenyl)guanidine
SMILESCc1c(Cl)cccc1N=C(N)N
InChIInChI=1S/C8H10ClN3/c1-5-6(9)3-2-4-7(5)12-8(10)11/h2-4H,1H3,(H4,10,11,12)
InChIKeyGRCIVJXVNQSBFC-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.55
Rot. Bonds1

About 2-(3-chloro-2-methylphenyl)guanidine

2-(3-chloro-2-methylphenyl)guanidine (PubChem CID 45496576) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)guanidine.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)guanidine
PubChem CID45496576
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name2-(3-chloro-2-methylphenyl)guanidine
SMILESCc1c(Cl)cccc1N=C(N)N
InChIInChI=1S/C8H10ClN3/c1-5-6(9)3-2-4-7(5)12-8(10)11/h2-4H,1H3,(H4,10,11,12)
InChIKeyGRCIVJXVNQSBFC-UHFFFAOYSA-N
XLogP1.55
TPSA64.40 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 ≤ 51.55
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 2-(3-chloro-2-methylphenyl)guanidine?
The IUPAC name of 2-(3-chloro-2-methylphenyl)guanidine (CID 45496576) is 2-(3-chloro-2-methylphenyl)guanidine.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)guanidine?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)guanidine is Cc1c(Cl)cccc1N=C(N)N.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)guanidine?
The InChIKey is GRCIVJXVNQSBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-5-6(9)3-2-4-7(5)12-8(10)11/h2-4H,1H3,(H4,10,11,12).
What are the key properties of 2-(3-chloro-2-methylphenyl)guanidine?
2-(3-chloro-2-methylphenyl)guanidine has a molecular weight of 183.64 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)guanidine is sourced from PubChem (CID 45496576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).