(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine

C15H24FNO4 — CID 104561031

IUPAC(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
SMILESCOCCOCCOCCOc1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C15H24FNO4/c1-12(17)13-3-4-15(14(16)11-13)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12H,5-10,17H2,1-2H3/t12-/m1/s1
InChIKeyJDKMBWMNRPWPCL-GFCCVEGCSA-N
MW301.36 g/mol
LogP1.90
Rot. Bonds11

About (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine

(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine (PubChem CID 104561031) has the molecular formula C15H24FNO4 and a molecular weight of 301.36 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
PubChem CID104561031
Molecular FormulaC15H24FNO4
Molecular Weight301.36 g/mol
Exact Mass301.17
IUPAC Name(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
SMILESCOCCOCCOCCOc1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C15H24FNO4/c1-12(17)13-3-4-15(14(16)11-13)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12H,5-10,17H2,1-2H3/t12-/m1/s1
InChIKeyJDKMBWMNRPWPCL-GFCCVEGCSA-N
XLogP1.90
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 82956090
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
1-[4-(4,4-dimethylpentoxy)-3-fluorophenyl]ethanamine
CID 114209334
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850
(1R)-1-[3-fluoro-4-(3-methylsulfanylpropoxy)phenyl]ethanamine
CID 104863322
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471761
(1R)-1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 104929522
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine (CID 104561031) is (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine is COCCOCCOCCOc1ccc([C@@H](C)N)cc1F.
What is the InChIKey of (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
The InChIKey is JDKMBWMNRPWPCL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24FNO4/c1-12(17)13-3-4-15(14(16)11-13)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12H,5-10,17H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine has a molecular weight of 301.36 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 104561031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).