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

C18H27NO2 — CID 79899545

IUPAC1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c1-14(19)15-5-7-16(8-6-15)21-17-9-12-20-18(13-17)10-3-2-4-11-18/h5-8,14,17H,2-4,9-13,19H2,1H3
InChIKeyCWYHYKCBVFDOBW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.97
Rot. Bonds3

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

1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine (PubChem CID 79899545) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
PubChem CID79899545
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c1-14(19)15-5-7-16(8-6-15)21-17-9-12-20-18(13-17)10-3-2-4-11-18/h5-8,14,17H,2-4,9-13,19H2,1H3
InChIKeyCWYHYKCBVFDOBW-UHFFFAOYSA-N
XLogP3.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
CID 79899058
N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
CID 79899819

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine (CID 79899545) is 1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine is CC(N)c1ccc(OC2CCOC3(CCCCC3)C2)cc1.
What is the InChIKey of 1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
The InChIKey is CWYHYKCBVFDOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(19)15-5-7-16(8-6-15)21-17-9-12-20-18(13-17)10-3-2-4-11-18/h5-8,14,17H,2-4,9-13,19H2,1H3.
What are the key properties of 1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine?
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine is sourced from PubChem (CID 79899545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).