(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine

C14H22FNO — CID 107718481

IUPAC(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
SMILESCCCCCCOc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C14H22FNO/c1-3-4-5-6-9-17-12-7-8-13(11(2)16)14(15)10-12/h7-8,10-11H,3-6,9,16H2,1-2H3/t11-/m1/s1
InChIKeyVVBVKFMYLWHZGN-LLVKDONJSA-N
MW239.33 g/mol
LogP3.80
Rot. Bonds7

About (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine

(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine (PubChem CID 107718481) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
PubChem CID107718481
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
SMILESCCCCCCOc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C14H22FNO/c1-3-4-5-6-9-17-12-7-8-13(11(2)16)14(15)10-12/h7-8,10-11H,3-6,9,16H2,1-2H3/t11-/m1/s1
InChIKeyVVBVKFMYLWHZGN-LLVKDONJSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1R,3S)-3-amino-1-(2-fluoro-4-octoxyphenyl)butane-1,4-diol
CID 165352076
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
4-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]butanenitrile
CID 107718107
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
2-(4-decoxy-2-fluorophenyl)dodecan-5-ol
CID 173372389
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine (CID 107718481) is (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine is CCCCCCOc1ccc([C@@H](C)N)c(F)c1.
What is the InChIKey of (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine?
The InChIKey is VVBVKFMYLWHZGN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-4-5-6-9-17-12-7-8-13(11(2)16)14(15)10-12/h7-8,10-11H,3-6,9,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine?
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine is sourced from PubChem (CID 107718481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).