1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

C17H25NO2 — CID 79913797

IUPAC1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCOc1ccc(C(C)(N)C2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C17H25NO2/c1-16(18,13-4-6-15(19-2)7-5-13)14-8-11-20-17(12-14)9-3-10-17/h4-7,14H,3,8-12,18H2,1-2H3
InChIKeyWRGNCCGXFAUEBQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.22
Rot. Bonds3

About 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (PubChem CID 79913797) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
PubChem CID79913797
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCOc1ccc(C(C)(N)C2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C17H25NO2/c1-16(18,13-4-6-15(19-2)7-5-13)14-8-11-20-17(12-14)9-3-10-17/h4-7,14H,3,8-12,18H2,1-2H3
InChIKeyWRGNCCGXFAUEBQ-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
CID 79907776
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79913330
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
1-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79912639
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
1-(2-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913900
1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 82779843
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (CID 79913797) is 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is COc1ccc(C(C)(N)C2CCOC3(CCC3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The InChIKey is WRGNCCGXFAUEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(18,13-4-6-15(19-2)7-5-13)14-8-11-20-17(12-14)9-3-10-17/h4-7,14H,3,8-12,18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is sourced from PubChem (CID 79913797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).