6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol

C14H22FNO2 — CID 107702850

IUPAC6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
SMILESC[C@@H](N)c1ccc(OCCCCCCO)c(F)c1
InChIInChI=1S/C14H22FNO2/c1-11(16)12-6-7-14(13(15)10-12)18-9-5-3-2-4-8-17/h6-7,10-11,17H,2-5,8-9,16H2,1H3/t11-/m1/s1
InChIKeyOTBRSOMMXQOUCI-LLVKDONJSA-N
MW255.33 g/mol
LogP2.78
Rot. Bonds8

About 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol

6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol (PubChem CID 107702850) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
PubChem CID107702850
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
SMILESC[C@@H](N)c1ccc(OCCCCCCO)c(F)c1
InChIInChI=1S/C14H22FNO2/c1-11(16)12-6-7-14(13(15)10-12)18-9-5-3-2-4-8-17/h6-7,10-11,17H,2-5,8-9,16H2,1H3/t11-/m1/s1
InChIKeyOTBRSOMMXQOUCI-LLVKDONJSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol
CID 113389772
1-[4-(4,4-dimethylpentoxy)-3-fluorophenyl]ethanamine
CID 114209334
(1R)-1-[3-fluoro-4-(3-methylsulfanylpropoxy)phenyl]ethanamine
CID 104863322
(1R)-1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 104929522
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471761
(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 82956090
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-2,2-dimethylhexanenitrile
CID 106708892
(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006438
5-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]pentan-1-ol
CID 55189555
6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
CID 107702669
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol?
The IUPAC name of 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol (CID 107702850) is 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol is C[C@@H](N)c1ccc(OCCCCCCO)c(F)c1.
What is the InChIKey of 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol?
The InChIKey is OTBRSOMMXQOUCI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-11(16)12-6-7-14(13(15)10-12)18-9-5-3-2-4-8-17/h6-7,10-11,17H,2-5,8-9,16H2,1H3/t11-/m1/s1.
What are the key properties of 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol?
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol is sourced from PubChem (CID 107702850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).