(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine

C13H20FNO — CID 63370186

IUPAC(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
SMILESCCCCCOc1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C13H20FNO/c1-3-4-5-8-16-13-7-6-11(14)9-12(13)10(2)15/h6-7,9-10H,3-5,8,15H2,1-2H3/t10-/m1/s1
InChIKeyUWQHWCYGJTYEMB-SNVBAGLBSA-N
MW225.31 g/mol
LogP3.41
Rot. Bonds6

About (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine

(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine (PubChem CID 63370186) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
PubChem CID63370186
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
SMILESCCCCCOc1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C13H20FNO/c1-3-4-5-8-16-13-7-6-11(14)9-12(13)10(2)15/h6-7,9-10H,3-5,8,15H2,1-2H3/t10-/m1/s1
InChIKeyUWQHWCYGJTYEMB-SNVBAGLBSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.41
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

(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
CID 43286049
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
6-[2-(1-aminoethyl)-4-fluorophenoxy]-2,2-dimethylhexanenitrile
CID 106708861
1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 43128588
(1R)-1-[5-fluoro-2-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006434

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine (CID 63370186) is (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine is CCCCCOc1ccc(F)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine?
The InChIKey is UWQHWCYGJTYEMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-4-5-8-16-13-7-6-11(14)9-12(13)10(2)15/h6-7,9-10H,3-5,8,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine?
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine has a molecular weight of 225.31 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine is sourced from PubChem (CID 63370186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).