1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine

C16H23NO — CID 79921850

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H23NO/c17-15(11-13-5-2-1-3-6-13)14-7-10-18-16(12-14)8-4-9-16/h1-3,5-6,14-15H,4,7-12,17H2
InChIKeyICOOAZJWMLMHCL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.91
Rot. Bonds3

About 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine

1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine (PubChem CID 79921850) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
PubChem CID79921850
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H23NO/c17-15(11-13-5-2-1-3-6-13)14-7-10-18-16(12-14)8-4-9-16/h1-3,5-6,14-15H,4,7-12,17H2
InChIKeyICOOAZJWMLMHCL-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79908148
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
CID 79911685
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908679
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
CID 79908712
[1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylpropyl]hydrazine
CID 105205823
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanamine
CID 79914945
2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79911439
2-(3-fluorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79908149
2-(3-methylphenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79908437
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
2-(4-bromophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912214

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine (CID 79921850) is 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine is NC(Cc1ccccc1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine?
The InChIKey is ICOOAZJWMLMHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-15(11-13-5-2-1-3-6-13)14-7-10-18-16(12-14)8-4-9-16/h1-3,5-6,14-15H,4,7-12,17H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine?
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine is sourced from PubChem (CID 79921850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).