(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C15H21BrN2O — CID 104947258

IUPAC(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCCN1CCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C15H21BrN2O/c1-2-18-7-5-15(6-8-18)10-13(17)12-9-11(16)3-4-14(12)19-15/h3-4,9,13H,2,5-8,10,17H2,1H3/t13-/m0/s1
InChIKeyTYOSTXXEWBYXLA-ZDUSSCGKSA-N
MW325.25 g/mol
LogP3.09
Rot. Bonds1

About (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 104947258) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID104947258
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCCN1CCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C15H21BrN2O/c1-2-18-7-5-15(6-8-18)10-13(17)12-9-11(16)3-4-14(12)19-15/h3-4,9,13H,2,5-8,10,17H2,1H3/t13-/m0/s1
InChIKeyTYOSTXXEWBYXLA-ZDUSSCGKSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710193
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417
1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709709
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
(4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947474
7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709337
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709485
(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142
(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947164
6-bromo-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825088

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 104947258) is (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is CCN1CCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2.
What is the InChIKey of (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is TYOSTXXEWBYXLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-18-7-5-15(6-8-18)10-13(17)12-9-11(16)3-4-14(12)19-15/h3-4,9,13H,2,5-8,10,17H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 325.25 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 104947258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).