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

C16H23NO2 — CID 79904241

IUPAC1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-12(17)13-3-5-14(6-4-13)19-15-7-10-18-16(11-15)8-2-9-16/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyJHCGQMIEVSFKDW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.19
Rot. Bonds3

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

1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine (PubChem CID 79904241) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
PubChem CID79904241
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-12(17)13-3-5-14(6-4-13)19-15-7-10-18-16(11-15)8-2-9-16/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyJHCGQMIEVSFKDW-UHFFFAOYSA-N
XLogP3.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
CID 79899058
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
N-[[5-(5-oxaspiro[3.5]nonan-8-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79901007

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine (CID 79904241) is 1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine is CC(N)c1ccc(OC2CCOC3(CCC3)C2)cc1.
What is the InChIKey of 1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
The InChIKey is JHCGQMIEVSFKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(17)13-3-5-14(6-4-13)19-15-7-10-18-16(11-15)8-2-9-16/h3-6,12,15H,2,7-11,17H2,1H3.
What are the key properties of 1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine?
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine is sourced from PubChem (CID 79904241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).