2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine

C18H27NO2 — CID 79902831

IUPAC2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
SMILESNCCc1ccc(OC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c19-12-8-15-4-6-16(7-5-15)21-17-9-13-20-18(14-17)10-2-1-3-11-18/h4-7,17H,1-3,8-14,19H2
InChIKeyODZBNIRKUOLDOY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.45
Rot. Bonds4

About 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine

2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine (PubChem CID 79902831) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
PubChem CID79902831
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
SMILESNCCc1ccc(OC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c19-12-8-15-4-6-16(7-5-15)21-17-9-13-20-18(14-17)10-2-1-3-11-18/h4-7,17H,1-3,8-14,19H2
InChIKeyODZBNIRKUOLDOY-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
2-[5-(1-oxaspiro[5.5]undecan-4-yloxy)-2-pyridinyl]ethanamine
CID 79908457
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
CID 79899058
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
CID 79899819
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine (CID 79902831) is 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine is NCCc1ccc(OC2CCOC3(CCCCC3)C2)cc1.
What is the InChIKey of 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The InChIKey is ODZBNIRKUOLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c19-12-8-15-4-6-16(7-5-15)21-17-9-13-20-18(14-17)10-2-1-3-11-18/h4-7,17H,1-3,8-14,19H2.
What are the key properties of 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine is sourced from PubChem (CID 79902831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).