3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol

C15H24FN3O — CID 170631493

IUPAC3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol
SMILES[H]/N=C/CCNCCCNC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN3O/c16-14-5-3-13(4-6-14)11-15(12-20)19-10-2-9-18-8-1-7-17/h3-7,15,17-20H,1-2,8-12H2/b17-7+
InChIKeyQZELHCMGLZONPD-REZTVBANSA-N
MW281.37 g/mol
LogP1.34
Rot. Bonds11

About 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol

3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol (PubChem CID 170631493) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol
PubChem CID170631493
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol
SMILES[H]/N=C/CCNCCCNC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN3O/c16-14-5-3-13(4-6-14)11-15(12-20)19-10-2-9-18-8-1-7-17/h3-7,15,17-20H,1-2,8-12H2/b17-7+
InChIKeyQZELHCMGLZONPD-REZTVBANSA-N
XLogP1.34
TPSA68.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol 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 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol (CID 170631493) is 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol is [H]/N=C/CCNCCCNC(CO)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol?
The InChIKey is QZELHCMGLZONPD-REZTVBANSA-N. The full InChI is InChI=1S/C15H24FN3O/c16-14-5-3-13(4-6-14)11-15(12-20)19-10-2-9-18-8-1-7-17/h3-7,15,17-20H,1-2,8-12H2/b17-7+.
What are the key properties of 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol?
3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 1.34, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol is sourced from PubChem (CID 170631493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).