4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol

C14H19FN2O2 — CID 135912311

IUPAC4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol
SMILESOc1ccc(F)cc1/C=N/CCCN1CCOCC1
InChIInChI=1S/C14H19FN2O2/c15-13-2-3-14(18)12(10-13)11-16-4-1-5-17-6-8-19-9-7-17/h2-3,10-11,18H,1,4-9H2/b16-11+
InChIKeyZRCUFYLSLCYCBX-LFIBNONCSA-N
MW266.32 g/mol
LogP1.67
Rot. Bonds5

About 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol

4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol (PubChem CID 135912311) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol
PubChem CID135912311
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol
SMILESOc1ccc(F)cc1/C=N/CCCN1CCOCC1
InChIInChI=1S/C14H19FN2O2/c15-13-2-3-14(18)12(10-13)11-16-4-1-5-17-6-8-19-9-7-17/h2-3,10-11,18H,1,4-9H2/b16-11+
InChIKeyZRCUFYLSLCYCBX-LFIBNONCSA-N
XLogP1.67
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol 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

2,2'-{(2-hydroxypropane-1,3-diyl)bis[nitrilo(E)methylylidene]}diphenol
CID 243870
Bis(salicylideniminato-3-propyl)methylaminocobalt(II)
CID 135404124
4-Chloro-2-(3-morpholin-4-ylpropyliminomethyl)phenol
CID 135659271
4-Fluoro-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135908091
2-((3-(Dimethylamino)propylimino)methyl)-4-fluorophenol
CID 135908093
2-[3-(Diethylamino)propyliminomethyl]-4-fluorophenol
CID 135908094
4-Fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol
CID 135912310
N,N'-bis(5-fluorosalicylidene)-1,3-propanediamine
CID 137305820
CID 136020914
CID 136020914
1,3-Bis(3-fluorosalicylideneamino)-2-propanol
CID 5247956
3-((2-Morpholinoethylimino)methyl)benzene-1,2-diol
CID 136703171
4-((1E)-2-morpholin-4-yl-2-azavinyl)phenol
CID 135560806

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol?
The IUPAC name of 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol (CID 135912311) is 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol.
What is the SMILES notation for 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol?
The canonical SMILES for 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol is Oc1ccc(F)cc1/C=N/CCCN1CCOCC1.
What is the InChIKey of 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol?
The InChIKey is ZRCUFYLSLCYCBX-LFIBNONCSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-13-2-3-14(18)12(10-13)11-16-4-1-5-17-6-8-19-9-7-17/h2-3,10-11,18H,1,4-9H2/b16-11+.
What are the key properties of 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol?
4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol has a molecular weight of 266.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-morpholin-4-ylpropyliminomethyl)phenol is sourced from PubChem (CID 135912311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).