6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H22BrNO — CID 114710156

IUPAC6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC1(C)CCCC2(CC(N)c3cc(Br)ccc3O2)C1
InChIInChI=1S/C16H22BrNO/c1-15(2)6-3-7-16(10-15)9-13(18)12-8-11(17)4-5-14(12)19-16/h4-5,8,13H,3,6-7,9-10,18H2,1-2H3
InChIKeyGQGYCTMNBKIONU-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.57
Rot. Bonds

About 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114710156) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114710156
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC1(C)CCCC2(CC(N)c3cc(Br)ccc3O2)C1
InChIInChI=1S/C16H22BrNO/c1-15(2)6-3-7-16(10-15)9-13(18)12-8-11(17)4-5-14(12)19-16/h4-5,8,13H,3,6-7,9-10,18H2,1-2H3
InChIKeyGQGYCTMNBKIONU-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
(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-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104947217
(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947164
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine
CID 114710140
(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947258
6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710193

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114710156) is 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CC1(C)CCCC2(CC(N)c3cc(Br)ccc3O2)C1.
What is the InChIKey of 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is GQGYCTMNBKIONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-15(2)6-3-7-16(10-15)9-13(18)12-8-11(17)4-5-14(12)19-16/h4-5,8,13H,3,6-7,9-10,18H2,1-2H3.
What are the key properties of 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114710156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).