6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C17H25BrN2O — CID 114713417

IUPAC6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCCNC1CC2(CCN(CC)CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C17H25BrN2O/c1-3-19-15-12-17(7-9-20(4-2)10-8-17)21-16-6-5-13(18)11-14(15)16/h5-6,11,15,19H,3-4,7-10,12H2,1-2H3
InChIKeyUYTJCYNZYOUMND-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.74
Rot. Bonds3

About 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 114713417) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID114713417
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCCNC1CC2(CCN(CC)CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C17H25BrN2O/c1-3-19-15-12-17(7-9-20(4-2)10-8-17)21-16-6-5-13(18)11-14(15)16/h5-6,11,15,19H,3-4,7-10,12H2,1-2H3
InChIKeyUYTJCYNZYOUMND-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947258
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114713382
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114711803
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557
6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
CID 114713433
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407
7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825119

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 114713417) is 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is CCNC1CC2(CCN(CC)CC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is UYTJCYNZYOUMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-19-15-12-17(7-9-20(4-2)10-8-17)21-16-6-5-13(18)11-14(15)16/h5-6,11,15,19H,3-4,7-10,12H2,1-2H3.
What are the key properties of 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 353.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 114713417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).