6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine

C13H16BrNO2 — CID 114710145

IUPAC6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCC1OCCC12CC(N)c1cc(Br)ccc1O2
InChIInChI=1S/C13H16BrNO2/c1-8-13(4-5-16-8)7-11(15)10-6-9(14)2-3-12(10)17-13/h2-3,6,8,11H,4-5,7,15H2,1H3
InChIKeyJARJAUHIDTYYID-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.78
Rot. Bonds

About 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine

6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (PubChem CID 114710145) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.

Molecular Properties

Compound Name6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
PubChem CID114710145
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCC1OCCC12CC(N)c1cc(Br)ccc1O2
InChIInChI=1S/C13H16BrNO2/c1-8-13(4-5-16-8)7-11(15)10-6-9(14)2-3-12(10)17-13/h2-3,6,8,11H,4-5,7,15H2,1H3
InChIKeyJARJAUHIDTYYID-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 104944487
(4S)-6-bromo-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947297
(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664675
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710059
6-bromo-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875135
(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
CID 114709977
(4S)-6-bromo-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104947179
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine
CID 114710140
(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450839
(4S)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450838
(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104947217

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The IUPAC name of 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (CID 114710145) is 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.
What is the SMILES notation for 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The canonical SMILES for 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is CC1OCCC12CC(N)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The InChIKey is JARJAUHIDTYYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8-13(4-5-16-8)7-11(15)10-6-9(14)2-3-12(10)17-13/h2-3,6,8,11H,4-5,7,15H2,1H3.
What are the key properties of 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine has a molecular weight of 298.18 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is sourced from PubChem (CID 114710145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).