1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine

C15H24FNO3 — CID 107693186

IUPAC1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
SMILESCOCCOCCCOc1ccc(CC(C)N)cc1F
InChIInChI=1S/C15H24FNO3/c1-12(17)10-13-4-5-15(14(16)11-13)20-7-3-6-19-9-8-18-2/h4-5,11-12H,3,6-10,17H2,1-2H3
InChIKeyQOTWEKLFIUEGPS-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.15
Rot. Bonds10

About 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine

1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine (PubChem CID 107693186) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
PubChem CID107693186
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
SMILESCOCCOCCCOc1ccc(CC(C)N)cc1F
InChIInChI=1S/C15H24FNO3/c1-12(17)10-13-4-5-15(14(16)11-13)20-7-3-6-19-9-8-18-2/h4-5,11-12H,3,6-10,17H2,1-2H3
InChIKeyQOTWEKLFIUEGPS-UHFFFAOYSA-N
XLogP2.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
CID 107693080
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
4-(bromomethyl)-2-fluoro-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 107691568
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
1-[3-bromo-4-(4-methoxybutoxy)phenyl]propan-2-amine
CID 104648836
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 107701721

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine (CID 107693186) is 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine is COCCOCCCOc1ccc(CC(C)N)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine?
The InChIKey is QOTWEKLFIUEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-12(17)10-13-4-5-15(14(16)11-13)20-7-3-6-19-9-8-18-2/h4-5,11-12H,3,6-10,17H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine?
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine has a molecular weight of 285.36 g/mol, XLogP of 2.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107693186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).