N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine

C17H23Br2NO — CID 65167719

IUPACN-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(Nc2ccc(Br)cc2Br)C12CCCCC2
InChIInChI=1S/C17H23Br2NO/c1-2-21-16-11-15(17(16)8-4-3-5-9-17)20-14-7-6-12(18)10-13(14)19/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3
InChIKeyXGGGBGAKJXMJIA-UHFFFAOYSA-N
MW417.19 g/mol
LogP5.75
Rot. Bonds4

About N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65167719) has the molecular formula C17H23Br2NO and a molecular weight of 417.19 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65167719
Molecular FormulaC17H23Br2NO
Molecular Weight417.19 g/mol
Exact Mass415.01
IUPAC NameN-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(Nc2ccc(Br)cc2Br)C12CCCCC2
InChIInChI=1S/C17H23Br2NO/c1-2-21-16-11-15(17(16)8-4-3-5-9-17)20-14-7-6-12(18)10-13(14)19/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3
InChIKeyXGGGBGAKJXMJIA-UHFFFAOYSA-N
XLogP5.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.19
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-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

Related Compounds

N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167662
N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169393
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
N-(4-bromo-2,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 107609814
N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 103478585
3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
CID 64862895
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine
CID 133353747
N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294226
3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine
CID 64864038
N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 65167719) is N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(Nc2ccc(Br)cc2Br)C12CCCCC2.
What is the InChIKey of N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is XGGGBGAKJXMJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Br2NO/c1-2-21-16-11-15(17(16)8-4-3-5-9-17)20-14-7-6-12(18)10-13(14)19/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3.
What are the key properties of N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 417.19 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65167719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).