1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide

C14H23ClIN3O — CID 111512865

IUPAC1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCC(C)Oc1cccc(Cl)c1.I
InChIInChI=1S/C14H22ClN3O.HI/c1-4-8-17-14(16-3)18-10-11(2)19-13-7-5-6-12(15)9-13;/h5-7,9,11H,4,8,10H2,1-3H3,(H2,16,17,18);1H
InChIKeyQWNLAMDDUSCKEG-UHFFFAOYSA-N
MW411.72 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide

1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide (PubChem CID 111512865) has the molecular formula C14H23ClIN3O and a molecular weight of 411.72 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide
PubChem CID111512865
Molecular FormulaC14H23ClIN3O
Molecular Weight411.72 g/mol
Exact Mass411.06
IUPAC Name1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCC(C)Oc1cccc(Cl)c1.I
InChIInChI=1S/C14H22ClN3O.HI/c1-4-8-17-14(16-3)18-10-11(2)19-13-7-5-6-12(15)9-13;/h5-7,9,11H,4,8,10H2,1-3H3,(H2,16,17,18);1H
InChIKeyQWNLAMDDUSCKEG-UHFFFAOYSA-N
XLogP3.30
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-chlorophenoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111491881
1-tert-butyl-3-[2-(3-chlorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111493859
3-[[N-[2-(4-chlorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111680735
3-[[N-[2-(3-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111679911
1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111513609
1-[2-(3-chlorophenoxy)propyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111514143
1-[2-(3-chlorophenoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111513070
1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111522080
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111494192
2-methyl-1-pentyl-3-(2-phenoxypropyl)guanidine
CID 111787907
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494985

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide (CID 111512865) is 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCC(C)Oc1cccc(Cl)c1.I.
What is the InChIKey of 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide?
The InChIKey is QWNLAMDDUSCKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O.HI/c1-4-8-17-14(16-3)18-10-11(2)19-13-7-5-6-12(15)9-13;/h5-7,9,11H,4,8,10H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide?
1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide has a molecular weight of 411.72 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111512865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).