(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine

C16H24FN3O — CID 63369223

IUPAC(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCC(N3CCOCC3)C2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-12(18)13-2-3-16(15(17)10-13)20-5-4-14(11-20)19-6-8-21-9-7-19/h2-3,10,12,14H,4-9,11,18H2,1H3/t12-,14?/m1/s1
InChIKeyQJQAALLWDWEQMC-PUODRLBUSA-N
MW293.39 g/mol
LogP1.76
Rot. Bonds3

About (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine

(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 63369223) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID63369223
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCC(N3CCOCC3)C2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-12(18)13-2-3-16(15(17)10-13)20-5-4-14(11-20)19-6-8-21-9-7-19/h2-3,10,12,14H,4-9,11,18H2,1H3/t12-,14?/m1/s1
InChIKeyQJQAALLWDWEQMC-PUODRLBUSA-N
XLogP1.76
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine (CID 63369223) is (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCC(N3CCOCC3)C2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is QJQAALLWDWEQMC-PUODRLBUSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12(18)13-2-3-16(15(17)10-13)20-5-4-14(11-20)19-6-8-21-9-7-19/h2-3,10,12,14H,4-9,11,18H2,1H3/t12-,14?/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine?
(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 293.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63369223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).