6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine

C15H20BrNO — CID 71269733

IUPAC6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
SMILESCOC1CCC2(CC1)Cc1ccc(Br)cc1C2N
InChIInChI=1S/C15H20BrNO/c1-18-12-4-6-15(7-5-12)9-10-2-3-11(16)8-13(10)14(15)17/h2-3,8,12,14H,4-7,9,17H2,1H3
InChIKeyZUJFERYYLJBYAN-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.58
Rot. Bonds1

About 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine

6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine (PubChem CID 71269733) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine.

Molecular Properties

Compound Name6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
PubChem CID71269733
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
SMILESCOC1CCC2(CC1)Cc1ccc(Br)cc1C2N
InChIInChI=1S/C15H20BrNO/c1-18-12-4-6-15(7-5-12)9-10-2-3-11(16)8-13(10)14(15)17/h2-3,8,12,14H,4-7,9,17H2,1H3
InChIKeyZUJFERYYLJBYAN-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine?
The IUPAC name of 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine (CID 71269733) is 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine.
What is the SMILES notation for 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine?
The canonical SMILES for 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine is COC1CCC2(CC1)Cc1ccc(Br)cc1C2N.
What is the InChIKey of 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine?
The InChIKey is ZUJFERYYLJBYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-18-12-4-6-15(7-5-12)9-10-2-3-11(16)8-13(10)14(15)17/h2-3,8,12,14H,4-7,9,17H2,1H3.
What are the key properties of 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine?
6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine has a molecular weight of 310.24 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine is sourced from PubChem (CID 71269733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).