5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine

C13H19F2NO2 — CID 82353668

IUPAC5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine
SMILESNCCCCCOCCOc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO2/c14-12-5-4-11(10-13(12)15)18-9-8-17-7-3-1-2-6-16/h4-5,10H,1-3,6-9,16H2
InChIKeyHUBRWFOACVWHES-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.49
Rot. Bonds9

About 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine

5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine (PubChem CID 82353668) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine
PubChem CID82353668
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine
SMILESNCCCCCOCCOc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO2/c14-12-5-4-11(10-13(12)15)18-9-8-17-7-3-1-2-6-16/h4-5,10H,1-3,6-9,16H2
InChIKeyHUBRWFOACVWHES-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]pentan-1-amine
CID 82353669
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
1-amino-6-(3,4-difluorophenoxy)-2-methylhexan-2-ol
CID 64814224
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
CID 82353628

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine?
The IUPAC name of 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine (CID 82353668) is 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine.
What is the SMILES notation for 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine?
The canonical SMILES for 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine is NCCCCCOCCOc1ccc(F)c(F)c1.
What is the InChIKey of 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine?
The InChIKey is HUBRWFOACVWHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c14-12-5-4-11(10-13(12)15)18-9-8-17-7-3-1-2-6-16/h4-5,10H,1-3,6-9,16H2.
What are the key properties of 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine?
5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine has a molecular weight of 259.30 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine is sourced from PubChem (CID 82353668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).