(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C16H22BrNO — CID 106664675

IUPAC(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCC1CC(C)(C)CC12C[C@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C16H22BrNO/c1-10-7-15(2,3)9-16(10)8-13(18)12-6-11(17)4-5-14(12)19-16/h4-6,10,13H,7-9,18H2,1-3H3/t10?,13-,16?/m0/s1
InChIKeyAMTOZAFQFHOWHO-QCIACWGRSA-N
MW324.26 g/mol
LogP4.43
Rot. Bonds

About (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 106664675) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID106664675
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCC1CC(C)(C)CC12C[C@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C16H22BrNO/c1-10-7-15(2,3)9-16(10)8-13(18)12-6-11(17)4-5-14(12)19-16/h4-6,10,13H,7-9,18H2,1-3H3/t10?,13-,16?/m0/s1
InChIKeyAMTOZAFQFHOWHO-QCIACWGRSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine with MolForge

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Related Compounds

6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710145
7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664658
(4S)-6-bromo-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947297
(4S)-6-bromo-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104947179
6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710156
(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
6-bromo-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875135
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710059
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
CID 114709977
(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142
(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947164
(4R)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 104944487

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 106664675) is (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CC1CC(C)(C)CC12C[C@H](N)c1cc(Br)ccc1O2.
What is the InChIKey of (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is AMTOZAFQFHOWHO-QCIACWGRSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-10-7-15(2,3)9-16(10)8-13(18)12-6-11(17)4-5-14(12)19-16/h4-6,10,13H,7-9,18H2,1-3H3/t10?,13-,16?/m0/s1.
What are the key properties of (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 106664675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).