(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine

C13H20FNO3 — CID 107718394

IUPAC(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
SMILESCOCCOCCOc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C13H20FNO3/c1-10(15)12-4-3-11(9-13(12)14)18-8-7-17-6-5-16-2/h3-4,9-10H,5-8,15H2,1-2H3/t10-/m1/s1
InChIKeyMIJSHCLOSRXJBU-SNVBAGLBSA-N
MW257.30 g/mol
LogP1.89
Rot. Bonds8

About (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine

(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine (PubChem CID 107718394) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
PubChem CID107718394
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
SMILESCOCCOCCOc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C13H20FNO3/c1-10(15)12-4-3-11(9-13(12)14)18-8-7-17-6-5-16-2/h3-4,9-10H,5-8,15H2,1-2H3/t10-/m1/s1
InChIKeyMIJSHCLOSRXJBU-SNVBAGLBSA-N
XLogP1.89
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.89
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-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 107718696
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
4-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]butanenitrile
CID 107718107
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine (CID 107718394) is (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine is COCCOCCOc1ccc([C@@H](C)N)c(F)c1.
What is the InChIKey of (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine?
The InChIKey is MIJSHCLOSRXJBU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-10(15)12-4-3-11(9-13(12)14)18-8-7-17-6-5-16-2/h3-4,9-10H,5-8,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine?
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine has a molecular weight of 257.30 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 107718394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).