1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine

C16H22BrNO2 — CID 102946379

IUPAC1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C16H22BrNO2/c1-11(18)14-4-3-12(17)9-15(14)20-13-5-8-19-16(10-13)6-2-7-16/h3-4,9,11,13H,2,5-8,10,18H2,1H3
InChIKeyBGKUZHHMCGXPBC-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.95
Rot. Bonds3

About 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine

1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine (PubChem CID 102946379) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
PubChem CID102946379
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C16H22BrNO2/c1-11(18)14-4-3-12(17)9-15(14)20-13-5-8-19-16(10-13)6-2-7-16/h3-4,9,11,13H,2,5-8,10,18H2,1H3
InChIKeyBGKUZHHMCGXPBC-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide
CID 79900573
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 79905392
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine
CID 79900742
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
9-[4-bromo-2-(chloromethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894152
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine (CID 102946379) is 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine is CC(N)c1ccc(Br)cc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
The InChIKey is BGKUZHHMCGXPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11(18)14-4-3-12(17)9-15(14)20-13-5-8-19-16(10-13)6-2-7-16/h3-4,9,11,13H,2,5-8,10,18H2,1H3.
What are the key properties of 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine has a molecular weight of 340.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine is sourced from PubChem (CID 102946379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).