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

C14H22FNO3 — CID 107718203

IUPAC(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
SMILESCOCCCOCCOc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C14H22FNO3/c1-11(16)13-5-4-12(10-14(13)15)19-9-8-18-7-3-6-17-2/h4-5,10-11H,3,6-9,16H2,1-2H3/t11-/m1/s1
InChIKeyOTFPZZIUOUCDOQ-LLVKDONJSA-N
MW271.33 g/mol
LogP2.28
Rot. Bonds9

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

(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine (PubChem CID 107718203) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
PubChem CID107718203
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
SMILESCOCCCOCCOc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C14H22FNO3/c1-11(16)13-5-4-12(10-14(13)15)19-9-8-18-7-3-6-17-2/h4-5,10-11H,3,6-9,16H2,1-2H3/t11-/m1/s1
InChIKeyOTFPZZIUOUCDOQ-LLVKDONJSA-N
XLogP2.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.28
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-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
4-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]butanenitrile
CID 107718107
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine (CID 107718203) is (1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine is COCCCOCCOc1ccc([C@@H](C)N)c(F)c1.
What is the InChIKey of (1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
The InChIKey is OTFPZZIUOUCDOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-11(16)13-5-4-12(10-14(13)15)19-9-8-18-7-3-6-17-2/h4-5,10-11H,3,6-9,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine has a molecular weight of 271.33 g/mol, XLogP of 2.28, 9 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-(3-methoxypropoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 107718203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).