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

C15H20BrNO2 — CID 114711694

IUPAC7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOC(C)C2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H20BrNO2/c1-10-8-15(5-6-18-10)9-13(17-2)12-4-3-11(16)7-14(12)19-15/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyZGWJBWDHQBHWRH-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.43
Rot. Bonds1

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

7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114711694) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound Name7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114711694
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOC(C)C2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H20BrNO2/c1-10-8-15(5-6-18-10)9-13(17-2)12-4-3-11(16)7-14(12)19-15/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyZGWJBWDHQBHWRH-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114711592
N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711043
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711614
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143
7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664658
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712062
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712784
7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709220
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825150

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114711694) is 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CNC1CC2(CCOC(C)C2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is ZGWJBWDHQBHWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-8-15(5-6-18-10)9-13(17-2)12-4-3-11(16)7-14(12)19-15/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3.
What are the key properties of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 326.23 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114711694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).