5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol

C13H19ClFNO — CID 103914694

IUPAC5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
SMILESCC(NCCCCCO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H19ClFNO/c1-10(16-7-3-2-4-8-17)11-5-6-12(14)13(15)9-11/h5-6,9-10,16-17H,2-4,7-8H2,1H3
InChIKeyXSVBOEOQLGQEQR-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.29
Rot. Bonds7

About 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol

5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol (PubChem CID 103914694) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
PubChem CID103914694
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
SMILESCC(NCCCCCO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H19ClFNO/c1-10(16-7-3-2-4-8-17)11-5-6-12(14)13(15)9-11/h5-6,9-10,16-17H,2-4,7-8H2,1H3
InChIKeyXSVBOEOQLGQEQR-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-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

Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
CID 83059630
N-[1-(4-chloro-3-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82994703
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
N-[1-(4-chloro-3-fluorophenyl)ethyl]but-3-en-1-amine
CID 115901843
4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
(E)-N-[1-(4-chloro-3-fluorophenyl)ethyl]pent-3-en-1-amine
CID 115890259
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
2-fluoro-4-[1-(3-hydroxypropylamino)ethyl]benzonitrile
CID 115914455
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol (CID 103914694) is 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol is CC(NCCCCCO)c1ccc(Cl)c(F)c1.
What is the InChIKey of 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol?
The InChIKey is XSVBOEOQLGQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-10(16-7-3-2-4-8-17)11-5-6-12(14)13(15)9-11/h5-6,9-10,16-17H,2-4,7-8H2,1H3.
What are the key properties of 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol?
5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol has a molecular weight of 259.75 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 103914694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).