(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C17H24BrNO — CID 107450839

IUPAC(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)C1CCCC2(C1)C[C@@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C17H24BrNO/c1-11(2)12-4-3-7-17(9-12)10-15(19)14-8-13(18)5-6-16(14)20-17/h5-6,8,11-12,15H,3-4,7,9-10,19H2,1-2H3/t12?,15-,17?/m1/s1
InChIKeyDLYKUEHZWARDDU-YAJUMTOWSA-N
MW338.29 g/mol
LogP4.82
Rot. Bonds1

About (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 107450839) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID107450839
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)C1CCCC2(C1)C[C@@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C17H24BrNO/c1-11(2)12-4-3-7-17(9-12)10-15(19)14-8-13(18)5-6-16(14)20-17/h5-6,8,11-12,15H,3-4,7,9-10,19H2,1-2H3/t12?,15-,17?/m1/s1
InChIKeyDLYKUEHZWARDDU-YAJUMTOWSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450838
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779
(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142
(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945573
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
(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
(4R)-6-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947474
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine
CID 114710140
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430740

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 107450839) is (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CC(C)C1CCCC2(C1)C[C@@H](N)c1cc(Br)ccc1O2.
What is the InChIKey of (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is DLYKUEHZWARDDU-YAJUMTOWSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-11(2)12-4-3-7-17(9-12)10-15(19)14-8-13(18)5-6-16(14)20-17/h5-6,8,11-12,15H,3-4,7,9-10,19H2,1-2H3/t12?,15-,17?/m1/s1.
What are the key properties of (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 338.29 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 107450839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).