(4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

C15H21BrN2O — CID 104947474

IUPAC(4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCC(C)N1CCC2(C[C@@H](N)c3cc(Br)ccc3O2)C1
InChIInChI=1S/C15H21BrN2O/c1-10(2)18-6-5-15(9-18)8-13(17)12-7-11(16)3-4-14(12)19-15/h3-4,7,10,13H,5-6,8-9,17H2,1-2H3/t13-,15?/m1/s1
InChIKeyBJKLWBQWNJBWSZ-AFYYWNPRSA-N
MW325.25 g/mol
LogP3.08
Rot. Bonds1

About (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

(4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (PubChem CID 104947474) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name(4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
PubChem CID104947474
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCC(C)N1CCC2(C[C@@H](N)c3cc(Br)ccc3O2)C1
InChIInChI=1S/C15H21BrN2O/c1-10(2)18-6-5-15(9-18)8-13(17)12-7-11(16)3-4-14(12)19-15/h3-4,7,10,13H,5-6,8-9,17H2,1-2H3/t13-,15?/m1/s1
InChIKeyBJKLWBQWNJBWSZ-AFYYWNPRSA-N
XLogP3.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947698
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945253
(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947258
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104945533
(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450839
(4S)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450838
(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710193
(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104947217

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The IUPAC name of (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (CID 104947474) is (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.
What is the SMILES notation for (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The canonical SMILES for (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is CC(C)N1CCC2(C[C@@H](N)c3cc(Br)ccc3O2)C1.
What is the InChIKey of (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The InChIKey is BJKLWBQWNJBWSZ-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10(2)18-6-5-15(9-18)8-13(17)12-7-11(16)3-4-14(12)19-15/h3-4,7,10,13H,5-6,8-9,17H2,1-2H3/t13-,15?/m1/s1.
What are the key properties of (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
(4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine has a molecular weight of 325.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is sourced from PubChem (CID 104947474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).