1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine

C17H23FN2O — CID 114713633

IUPAC1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
SMILESCNC1CC2(CC(C)N(C3CC3)C2)Oc2cc(F)ccc21
InChIInChI=1S/C17H23FN2O/c1-11-8-17(10-20(11)13-4-5-13)9-15(19-2)14-6-3-12(18)7-16(14)21-17/h3,6-7,11,13,15,19H,4-5,8-10H2,1-2H3
InChIKeyPQYHFXQJEZBEGD-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.86
Rot. Bonds2

About 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine

1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine (PubChem CID 114713633) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
PubChem CID114713633
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
SMILESCNC1CC2(CC(C)N(C3CC3)C2)Oc2cc(F)ccc21
InChIInChI=1S/C17H23FN2O/c1-11-8-17(10-20(11)13-4-5-13)9-15(19-2)14-6-3-12(18)7-16(14)21-17/h3,6-7,11,13,15,19H,4-5,8-10H2,1-2H3
InChIKeyPQYHFXQJEZBEGD-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
The IUPAC name of 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine (CID 114713633) is 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine.
What is the SMILES notation for 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
The canonical SMILES for 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine is CNC1CC2(CC(C)N(C3CC3)C2)Oc2cc(F)ccc21.
What is the InChIKey of 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
The InChIKey is PQYHFXQJEZBEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11-8-17(10-20(11)13-4-5-13)9-15(19-2)14-6-3-12(18)7-16(14)21-17/h3,6-7,11,13,15,19H,4-5,8-10H2,1-2H3.
What are the key properties of 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine?
1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine has a molecular weight of 290.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine is sourced from PubChem (CID 114713633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).