1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine

C18H27NO2 — CID 79899561

IUPAC1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C18H27NO2/c1-2-16(19)15-7-3-4-8-17(15)21-14-9-12-20-18(13-14)10-5-6-11-18/h3-4,7-8,14,16H,2,5-6,9-13,19H2,1H3
InChIKeyYIWYPRFFJFXNRG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.97
Rot. Bonds4

About 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine

1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine (PubChem CID 79899561) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
PubChem CID79899561
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C18H27NO2/c1-2-16(19)15-7-3-4-8-17(15)21-14-9-12-20-18(13-14)10-5-6-11-18/h3-4,7-8,14,16H,2,5-6,9-13,19H2,1H3
InChIKeyYIWYPRFFJFXNRG-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 114341276
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
CID 79899366
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
2-[2-chloro-6-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 114321606
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039
3-(6-oxaspiro[4.5]decan-9-yloxy)pyridin-2-amine
CID 79904908
2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarbothioamide
CID 79905444
(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899388
4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
CID 79899956

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine (CID 79899561) is 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine is CCC(N)c1ccccc1OC1CCOC2(CCCC2)C1.
What is the InChIKey of 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine?
The InChIKey is YIWYPRFFJFXNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-16(19)15-7-3-4-8-17(15)21-14-9-12-20-18(13-14)10-5-6-11-18/h3-4,7-8,14,16H,2,5-6,9-13,19H2,1H3.
What are the key properties of 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine?
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine is sourced from PubChem (CID 79899561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).