(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine

C16H19FN2O — CID 29006438

IUPAC(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCCc2ccncc2)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-12(18)14-4-5-16(15(17)11-14)20-10-2-3-13-6-8-19-9-7-13/h4-9,11-12H,2-3,10,18H2,1H3/t12-/m1/s1
InChIKeyOFBNRYCHJJGKMM-GFCCVEGCSA-N
MW274.34 g/mol
LogP3.25
Rot. Bonds6

About (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine

(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine (PubChem CID 29006438) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
PubChem CID29006438
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCCc2ccncc2)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-12(18)14-4-5-16(15(17)11-14)20-10-2-3-13-6-8-19-9-7-13/h4-9,11-12H,2-3,10,18H2,1H3/t12-/m1/s1
InChIKeyOFBNRYCHJJGKMM-GFCCVEGCSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[5-fluoro-2-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006434
(1S)-1-[2-fluoro-6-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006428
(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
CID 78936400
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850
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
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389434
(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999976

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine (CID 29006438) is (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(OCCCc2ccncc2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine?
The InChIKey is OFBNRYCHJJGKMM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12(18)14-4-5-16(15(17)11-14)20-10-2-3-13-6-8-19-9-7-13/h4-9,11-12H,2-3,10,18H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine?
(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 29006438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).