(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C17H24BrNO — CID 104945573

IUPAC(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)C1CCC2(CC1)C[C@@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C17H24BrNO/c1-11(2)12-5-7-17(8-6-12)10-15(19)14-4-3-13(18)9-16(14)20-17/h3-4,9,11-12,15H,5-8,10,19H2,1-2H3/t12?,15-,17?/m1/s1
InChIKeyUWFQWOBDVUHYPR-YAJUMTOWSA-N
MW338.29 g/mol
LogP4.82
Rot. Bonds1

About (4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104945573) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is (4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104945573
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)C1CCC2(CC1)C[C@@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C17H24BrNO/c1-11(2)12-5-7-17(8-6-12)10-15(19)14-4-3-13(18)9-16(14)20-17/h3-4,9,11-12,15H,5-8,10,19H2,1-2H3/t12?,15-,17?/m1/s1
InChIKeyUWFQWOBDVUHYPR-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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Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104945573) is (4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CC(C)C1CCC2(CC1)C[C@@H](N)c1ccc(Br)cc1O2.
What is the InChIKey of (4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is UWFQWOBDVUHYPR-YAJUMTOWSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-11(2)12-5-7-17(8-6-12)10-15(19)14-4-3-13(18)9-16(14)20-17/h3-4,9,11-12,15H,5-8,10,19H2,1-2H3/t12?,15-,17?/m1/s1.
What are the key properties of (4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4R)-7-bromo-4'-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)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104945573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).