3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine

C16H22BrNO2 — CID 83135242

IUPAC3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine
SMILESCOc1cccc(Br)c1OC1CC(N)C12CCCCC2
InChIInChI=1S/C16H22BrNO2/c1-19-12-7-5-6-11(17)15(12)20-14-10-13(18)16(14)8-3-2-4-9-16/h5-7,13-14H,2-4,8-10,18H2,1H3
InChIKeyBDTABUAFNYMBOD-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.89
Rot. Bonds3

About 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine

3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine (PubChem CID 83135242) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine
PubChem CID83135242
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine
SMILESCOc1cccc(Br)c1OC1CC(N)C12CCCCC2
InChIInChI=1S/C16H22BrNO2/c1-19-12-7-5-6-11(17)15(12)20-14-10-13(18)16(14)8-3-2-4-9-16/h5-7,13-14H,2-4,8-10,18H2,1H3
InChIKeyBDTABUAFNYMBOD-UHFFFAOYSA-N
XLogP3.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 104708728
1-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-3-one
CID 83134773
3-chloro-1-(2,6-dibromophenoxy)spiro[3.4]octane
CID 66345711
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
CID 66358567
3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66358870
3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine
CID 83053402
3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
CID 66352704
3-(2-iodophenoxy)spiro[3.4]octan-1-amine
CID 66358472
3-(2-bromo-4-chlorophenoxy)spiro[3.4]octan-1-amine
CID 66357945
3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine
CID 107287279
3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol
CID 83134535

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine (CID 83135242) is 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine is COc1cccc(Br)c1OC1CC(N)C12CCCCC2.
What is the InChIKey of 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine?
The InChIKey is BDTABUAFNYMBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-19-12-7-5-6-11(17)15(12)20-14-10-13(18)16(14)8-3-2-4-9-16/h5-7,13-14H,2-4,8-10,18H2,1H3.
What are the key properties of 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine?
3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine has a molecular weight of 340.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 83135242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).