1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide

C14H23ClIN3 — CID 111227932

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\NCC)NCCc1ccccc1Cl.I
InChIInChI=1S/C14H22ClN3.HI/c1-3-10-17-14(16-4-2)18-11-9-12-7-5-6-8-13(12)15;/h5-8H,3-4,9-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyIWCCXZADKGSCAS-UHFFFAOYSA-N
MW395.72 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide

1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide (PubChem CID 111227932) has the molecular formula C14H23ClIN3 and a molecular weight of 395.72 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
PubChem CID111227932
Molecular FormulaC14H23ClIN3
Molecular Weight395.72 g/mol
Exact Mass395.06
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\NCC)NCCc1ccccc1Cl.I
InChIInChI=1S/C14H22ClN3.HI/c1-3-10-17-14(16-4-2)18-11-9-12-7-5-6-8-13(12)15;/h5-8H,3-4,9-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyIWCCXZADKGSCAS-UHFFFAOYSA-N
XLogP3.47
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.72
LogP ≤ 53.47
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111883044
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111883048
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111882229
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111882583
2-[3-(benzenesulfonyl)propyl]-1-[2-(2-chlorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111882450
2-chloro-N-[2-[[N'-[2-(2-chlorophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111882398
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111875668
2-[(2-chlorophenyl)methyl]-1,3-diethylguanidine;hydroiodide
CID 110924859
2-[[[2-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365671
2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111544479
N-[2-[[N'-[2-(2-chlorophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111882268
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111368310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide (CID 111227932) is 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide is CCC/N=C(\NCC)NCCc1ccccc1Cl.I.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide?
The InChIKey is IWCCXZADKGSCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3.HI/c1-3-10-17-14(16-4-2)18-11-9-12-7-5-6-8-13(12)15;/h5-8H,3-4,9-11H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide?
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide has a molecular weight of 395.72 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide is sourced from PubChem (CID 111227932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).