2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine

C15H22ClN3 — CID 110988772

IUPAC2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine
SMILESCCN/C(=N\CCCc1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C15H22ClN3/c1-2-17-15(19-14-9-10-14)18-11-3-4-12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H2,17,18,19)
InChIKeyGSDCJUPAOAJBPA-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.99
Rot. Bonds6

About 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine

2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine (PubChem CID 110988772) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine
PubChem CID110988772
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine
SMILESCCN/C(=N\CCCc1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C15H22ClN3/c1-2-17-15(19-14-9-10-14)18-11-3-4-12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H2,17,18,19)
InChIKeyGSDCJUPAOAJBPA-UHFFFAOYSA-N
XLogP2.99
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.99
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

2-[(4-chlorophenyl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190887
1-cyclopropyl-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110989071
1-cyclopropyl-3-ethyl-2-[3-(2-phenylethoxy)propyl]guanidine
CID 110989421
1-cyclopropyl-3-ethyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 110987715
2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine
CID 110988788
4-chloro-N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]benzamide
CID 111189216
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111141123
2-[2-(4-butoxyphenyl)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190812
ethyl 4-[[N'-[3-[4-(dimethylamino)phenyl]propyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328392
N-[2-[[[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111989677
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111190623
1-cyclopropyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 110988488

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine?
The IUPAC name of 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine (CID 110988772) is 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine?
The canonical SMILES for 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine is CCN/C(=N\CCCc1ccc(Cl)cc1)NC1CC1.
What is the InChIKey of 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine?
The InChIKey is GSDCJUPAOAJBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-2-17-15(19-14-9-10-14)18-11-3-4-12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H2,17,18,19).
What are the key properties of 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine?
2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine has a molecular weight of 279.81 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)propyl]-1-cyclopropyl-3-ethylguanidine is sourced from PubChem (CID 110988772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).