7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C13H17BrN2O — CID 114709145

IUPAC7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESNC1CC2(CCNCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H17BrN2O/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h1-2,7,11,16H,3-6,8,15H2
InChIKeyCURFUPQXJUAONB-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.35
Rot. Bonds

About 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 114709145) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID114709145
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESNC1CC2(CCNCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H17BrN2O/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h1-2,7,11,16H,3-6,8,15H2
InChIKeyCURFUPQXJUAONB-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945391
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
CID 114821592
CID 114821592
(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945573
(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945705
(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945623
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945678
7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709220
(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104945533
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 114709145) is 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is NC1CC2(CCNCC2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is CURFUPQXJUAONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h1-2,7,11,16H,3-6,8,15H2.
What are the key properties of 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 297.20 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 114709145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).