2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine

C16H24ClN3 — CID 111806872

IUPAC2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
SMILESN/C(=N\CCCc1ccccc1Cl)NC1CCCCC1
InChIInChI=1S/C16H24ClN3/c17-15-11-5-4-7-13(15)8-6-12-19-16(18)20-14-9-2-1-3-10-14/h4-5,7,11,14H,1-3,6,8-10,12H2,(H3,18,19,20)
InChIKeyBLZSLTWTKNWRSJ-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.51
Rot. Bonds5

About 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine

2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine (PubChem CID 111806872) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
PubChem CID111806872
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
SMILESN/C(=N\CCCc1ccccc1Cl)NC1CCCCC1
InChIInChI=1S/C16H24ClN3/c17-15-11-5-4-7-13(15)8-6-12-19-16(18)20-14-9-2-1-3-10-14/h4-5,7,11,14H,1-3,6,8-10,12H2,(H3,18,19,20)
InChIKeyBLZSLTWTKNWRSJ-UHFFFAOYSA-N
XLogP3.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
CID 111801100
ethyl 4-[[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111044387
1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111093612
1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059033
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
2-[2-(3-chlorophenoxy)ethyl]-1-cyclohexylguanidine
CID 111071423
1-cyclohexyl-2-octylguanidine
CID 113337391

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine?
The IUPAC name of 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine (CID 111806872) is 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine?
The canonical SMILES for 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine is N/C(=N\CCCc1ccccc1Cl)NC1CCCCC1.
What is the InChIKey of 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine?
The InChIKey is BLZSLTWTKNWRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-15-11-5-4-7-13(15)8-6-12-19-16(18)20-14-9-2-1-3-10-14/h4-5,7,11,14H,1-3,6,8-10,12H2,(H3,18,19,20).
What are the key properties of 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine?
2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine has a molecular weight of 293.84 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine is sourced from PubChem (CID 111806872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).