7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine

C16H23BrN2O — CID 114711803

IUPAC7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
SMILESCCNC1CC2(CCCN(C)C2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H23BrN2O/c1-3-18-14-10-16(7-4-8-19(2)11-16)20-15-9-12(17)5-6-13(14)15/h5-6,9,14,18H,3-4,7-8,10-11H2,1-2H3
InChIKeySTJLGKILCQTCAO-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.35
Rot. Bonds2

About 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine

7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine (PubChem CID 114711803) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine.

Molecular Properties

Compound Name7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
PubChem CID114711803
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
SMILESCCNC1CC2(CCCN(C)C2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H23BrN2O/c1-3-18-14-10-16(7-4-8-19(2)11-16)20-15-9-12(17)5-6-13(14)15/h5-6,9,14,18H,3-4,7-8,10-11H2,1-2H3
InChIKeySTJLGKILCQTCAO-UHFFFAOYSA-N
XLogP3.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114712286
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712287
N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114711027
7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825119
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417
7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114714662
(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104945533
7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine
CID 114711787
6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114713382
1'-cyclopropyl-N-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712252
7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114711811

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine?
The IUPAC name of 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine (CID 114711803) is 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine.
What is the SMILES notation for 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine?
The canonical SMILES for 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine is CCNC1CC2(CCCN(C)C2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine?
The InChIKey is STJLGKILCQTCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-18-14-10-16(7-4-8-19(2)11-16)20-15-9-12(17)5-6-13(14)15/h5-6,9,14,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine?
7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine has a molecular weight of 339.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine is sourced from PubChem (CID 114711803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).