1,2-bis[3-(4-fluorophenoxy)propyl]guanidine

C19H23F2N3O2 — CID 72950699

IUPAC1,2-bis[3-(4-fluorophenoxy)propyl]guanidine
SMILESN/C(=N\CCCOc1ccc(F)cc1)NCCCOc1ccc(F)cc1
InChIInChI=1S/C19H23F2N3O2/c20-15-3-7-17(8-4-15)25-13-1-11-23-19(22)24-12-2-14-26-18-9-5-16(21)6-10-18/h3-10H,1-2,11-14H2,(H3,22,23,24)
InChIKeyBXCVIIKEIHXJKJ-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.11
Rot. Bonds10

About 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine

1,2-bis[3-(4-fluorophenoxy)propyl]guanidine (PubChem CID 72950699) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine.

Molecular Properties

Compound Name1,2-bis[3-(4-fluorophenoxy)propyl]guanidine
PubChem CID72950699
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name1,2-bis[3-(4-fluorophenoxy)propyl]guanidine
SMILESN/C(=N\CCCOc1ccc(F)cc1)NCCCOc1ccc(F)cc1
InChIInChI=1S/C19H23F2N3O2/c20-15-3-7-17(8-4-15)25-13-1-11-23-19(22)24-12-2-14-26-18-9-5-16(21)6-10-18/h3-10H,1-2,11-14H2,(H3,22,23,24)
InChIKeyBXCVIIKEIHXJKJ-UHFFFAOYSA-N
XLogP3.11
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.11
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 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine?
The IUPAC name of 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine (CID 72950699) is 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine.
What is the SMILES notation for 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine?
The canonical SMILES for 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine is N/C(=N\CCCOc1ccc(F)cc1)NCCCOc1ccc(F)cc1.
What is the InChIKey of 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine?
The InChIKey is BXCVIIKEIHXJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c20-15-3-7-17(8-4-15)25-13-1-11-23-19(22)24-12-2-14-26-18-9-5-16(21)6-10-18/h3-10H,1-2,11-14H2,(H3,22,23,24).
What are the key properties of 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine?
1,2-bis[3-(4-fluorophenoxy)propyl]guanidine has a molecular weight of 363.41 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[3-(4-fluorophenoxy)propyl]guanidine is sourced from PubChem (CID 72950699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).