N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine

C17H23BrFNO — CID 65167662

IUPACN-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(Nc2ccc(F)cc2Br)C12CCCCC2
InChIInChI=1S/C17H23BrFNO/c1-2-21-16-11-15(17(16)8-4-3-5-9-17)20-14-7-6-12(19)10-13(14)18/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3
InChIKeyMVYWPWZNJYIFJJ-UHFFFAOYSA-N
MW356.28 g/mol
LogP5.13
Rot. Bonds4

About N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65167662) has the molecular formula C17H23BrFNO and a molecular weight of 356.28 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65167662
Molecular FormulaC17H23BrFNO
Molecular Weight356.28 g/mol
Exact Mass355.09
IUPAC NameN-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(Nc2ccc(F)cc2Br)C12CCCCC2
InChIInChI=1S/C17H23BrFNO/c1-2-21-16-11-15(17(16)8-4-3-5-9-17)20-14-7-6-12(19)10-13(14)18/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3
InChIKeyMVYWPWZNJYIFJJ-UHFFFAOYSA-N
XLogP5.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
CID 64862895
N-(4-bromo-2,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 107609814
N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169393
N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 103478585
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
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
3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294378

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 65167662) is N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(Nc2ccc(F)cc2Br)C12CCCCC2.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is MVYWPWZNJYIFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFNO/c1-2-21-16-11-15(17(16)8-4-3-5-9-17)20-14-7-6-12(19)10-13(14)18/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3.
What are the key properties of N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 356.28 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65167662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).