2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine

C17H25NO2S — CID 79908189

IUPAC2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
SMILESNCCc1ccccc1OC1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H25NO2S/c18-9-5-14-3-1-2-4-16(14)20-15-6-10-19-17(13-15)7-11-21-12-8-17/h1-4,15H,5-13,18H2
InChIKeyQPAOSYOWCOMGAI-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.01
Rot. Bonds4

About 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine

2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine (PubChem CID 79908189) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
PubChem CID79908189
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
SMILESNCCc1ccccc1OC1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H25NO2S/c18-9-5-14-3-1-2-4-16(14)20-15-6-10-19-17(13-15)7-11-21-12-8-17/h1-4,15H,5-13,18H2
InChIKeyQPAOSYOWCOMGAI-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899824
[5-chloro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899571
[5-bromo-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899567
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039
[3-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 107665408
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 114321606
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine
CID 79893870
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904501
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The IUPAC name of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine (CID 79908189) is 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine is NCCc1ccccc1OC1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The InChIKey is QPAOSYOWCOMGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c18-9-5-14-3-1-2-4-16(14)20-15-6-10-19-17(13-15)7-11-21-12-8-17/h1-4,15H,5-13,18H2.
What are the key properties of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine has a molecular weight of 307.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine is sourced from PubChem (CID 79908189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).