N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine

C13H20FNO2 — CID 43285227

IUPACN-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCOC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-15-10(2)11-5-6-13(12(14)9-11)17-8-7-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyXOSKVGPSTHOXQP-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.52
Rot. Bonds7

About N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine

N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine (PubChem CID 43285227) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
PubChem CID43285227
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCOC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-15-10(2)11-5-6-13(12(14)9-11)17-8-7-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyXOSKVGPSTHOXQP-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.52
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

N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
N-ethyl-1-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82787624
N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722508
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
CID 113389475
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 43284973
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
CID 43285513
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine (CID 43285227) is N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine is CCNC(C)c1ccc(OCCOC)c(F)c1.
What is the InChIKey of N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine?
The InChIKey is XOSKVGPSTHOXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-15-10(2)11-5-6-13(12(14)9-11)17-8-7-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine?
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 43285227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).