7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

C15H20BrNO2 — CID 114709220

IUPAC7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCC1CC2(CC(C)O1)CC(N)c1ccc(Br)cc1O2
InChIInChI=1S/C15H20BrNO2/c1-9-6-15(7-10(2)18-9)8-13(17)12-4-3-11(16)5-14(12)19-15/h3-5,9-10,13H,6-8,17H2,1-2H3
InChIKeyZFPBPGLKFNWSBR-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.56
Rot. Bonds

About 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114709220) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound Name7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114709220
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCC1CC2(CC(C)O1)CC(N)c1ccc(Br)cc1O2
InChIInChI=1S/C15H20BrNO2/c1-9-6-15(7-10(2)18-9)8-13(17)12-4-3-11(16)5-14(12)19-15/h3-5,9-10,13H,6-8,17H2,1-2H3
InChIKeyZFPBPGLKFNWSBR-UHFFFAOYSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114709220) is 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CC1CC2(CC(C)O1)CC(N)c1ccc(Br)cc1O2.
What is the InChIKey of 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is ZFPBPGLKFNWSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-9-6-15(7-10(2)18-9)8-13(17)12-4-3-11(16)5-14(12)19-15/h3-5,9-10,13H,6-8,17H2,1-2H3.
What are the key properties of 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 326.23 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114709220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).