(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

C15H21FN2O — CID 104947698

IUPAC(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCC(C)N1CCC2(C[C@H](N)c3ccc(F)cc3O2)C1
InChIInChI=1S/C15H21FN2O/c1-10(2)18-6-5-15(9-18)8-13(17)12-4-3-11(16)7-14(12)19-15/h3-4,7,10,13H,5-6,8-9,17H2,1-2H3/t13-,15?/m0/s1
InChIKeyJAHYHYSVNYIHDK-CFMCSPIPSA-N
MW264.34 g/mol
LogP2.46
Rot. Bonds1

About (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (PubChem CID 104947698) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
PubChem CID104947698
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCC(C)N1CCC2(C[C@H](N)c3ccc(F)cc3O2)C1
InChIInChI=1S/C15H21FN2O/c1-10(2)18-6-5-15(9-18)8-13(17)12-4-3-11(16)7-14(12)19-15/h3-4,7,10,13H,5-6,8-9,17H2,1-2H3/t13-,15?/m0/s1
InChIKeyJAHYHYSVNYIHDK-CFMCSPIPSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The IUPAC name of (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (CID 104947698) is (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.
What is the SMILES notation for (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The canonical SMILES for (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is CC(C)N1CCC2(C[C@H](N)c3ccc(F)cc3O2)C1.
What is the InChIKey of (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The InChIKey is JAHYHYSVNYIHDK-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(2)18-6-5-15(9-18)8-13(17)12-4-3-11(16)7-14(12)19-15/h3-4,7,10,13H,5-6,8-9,17H2,1-2H3/t13-,15?/m0/s1.
What are the key properties of (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine has a molecular weight of 264.34 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is sourced from PubChem (CID 104947698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).