2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine

C17H26Cl2N4O — CID 111600639

IUPAC2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCc1ccc(Cl)cc1Cl)NCCCN1CCOCC1
InChIInChI=1S/C17H26Cl2N4O/c18-15-5-4-14(16(19)13-15)3-1-6-21-17(20)22-7-2-8-23-9-11-24-12-10-23/h4-5,13H,1-3,6-12H2,(H3,20,21,22)
InChIKeyZQEKFBGNSYIYKZ-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.55
Rot. Bonds8

About 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine

2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111600639) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111600639
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCc1ccc(Cl)cc1Cl)NCCCN1CCOCC1
InChIInChI=1S/C17H26Cl2N4O/c18-15-5-4-14(16(19)13-15)3-1-6-21-17(20)22-7-2-8-23-9-11-24-12-10-23/h4-5,13H,1-3,6-12H2,(H3,20,21,22)
InChIKeyZQEKFBGNSYIYKZ-UHFFFAOYSA-N
XLogP2.55
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine 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

2-[3-(4-bromo-2-methoxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 110032190
2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816056
1-[2-(2,5-difluorophenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111600901
2-[3-(4-bromo-2-methoxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110032189
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972268
1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033008
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111588298
1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111071441
2-[3-(3-bromophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111807979
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345
2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111033514
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine (CID 111600639) is 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine is N/C(=N\CCCc1ccc(Cl)cc1Cl)NCCCN1CCOCC1.
What is the InChIKey of 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is ZQEKFBGNSYIYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N4O/c18-15-5-4-14(16(19)13-15)3-1-6-21-17(20)22-7-2-8-23-9-11-24-12-10-23/h4-5,13H,1-3,6-12H2,(H3,20,21,22).
What are the key properties of 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 373.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111600639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).