2-(4-chloro-2,6-diethylphenyl)guanidine

C11H16ClN3 — CID 57107776

IUPAC2-(4-chloro-2,6-diethylphenyl)guanidine
SMILESCCc1cc(Cl)cc(CC)c1N=C(N)N
InChIInChI=1S/C11H16ClN3/c1-3-7-5-9(12)6-8(4-2)10(7)15-11(13)14/h5-6H,3-4H2,1-2H3,(H4,13,14,15)
InChIKeyYEGAMYWDUIMFAM-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-chloro-2,6-diethylphenyl)guanidine

2-(4-chloro-2,6-diethylphenyl)guanidine (PubChem CID 57107776) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(4-chloro-2,6-diethylphenyl)guanidine.

Molecular Properties

Compound Name2-(4-chloro-2,6-diethylphenyl)guanidine
PubChem CID57107776
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-(4-chloro-2,6-diethylphenyl)guanidine
SMILESCCc1cc(Cl)cc(CC)c1N=C(N)N
InChIInChI=1S/C11H16ClN3/c1-3-7-5-9(12)6-8(4-2)10(7)15-11(13)14/h5-6H,3-4H2,1-2H3,(H4,13,14,15)
InChIKeyYEGAMYWDUIMFAM-UHFFFAOYSA-N
XLogP2.37
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.37
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-(4-chloro-2,6-diethylphenyl)guanidine?
The IUPAC name of 2-(4-chloro-2,6-diethylphenyl)guanidine (CID 57107776) is 2-(4-chloro-2,6-diethylphenyl)guanidine.
What is the SMILES notation for 2-(4-chloro-2,6-diethylphenyl)guanidine?
The canonical SMILES for 2-(4-chloro-2,6-diethylphenyl)guanidine is CCc1cc(Cl)cc(CC)c1N=C(N)N.
What is the InChIKey of 2-(4-chloro-2,6-diethylphenyl)guanidine?
The InChIKey is YEGAMYWDUIMFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-7-5-9(12)6-8(4-2)10(7)15-11(13)14/h5-6H,3-4H2,1-2H3,(H4,13,14,15).
What are the key properties of 2-(4-chloro-2,6-diethylphenyl)guanidine?
2-(4-chloro-2,6-diethylphenyl)guanidine has a molecular weight of 225.72 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-diethylphenyl)guanidine is sourced from PubChem (CID 57107776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).