2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C17H23Cl2NO — CID 79908679

IUPAC2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H23Cl2NO/c18-14-4-3-5-15(19)13(14)10-16(20)12-6-9-21-17(11-12)7-1-2-8-17/h3-5,12,16H,1-2,6-11,20H2
InChIKeyIJGILCOHSQTRPZ-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.60
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79908679) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79908679
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H23Cl2NO/c18-14-4-3-5-15(19)13(14)10-16(20)12-6-9-21-17(11-12)7-1-2-8-17/h3-5,12,16H,1-2,6-11,20H2
InChIKeyIJGILCOHSQTRPZ-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,6-dichlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105209863
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79911439
2-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79908148
2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79914830
2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908675
2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 116661279
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
CID 79911685
(5-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016683
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016808
(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 103443445
[(3-chloro-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105223476

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 79908679) is 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is NC(Cc1c(Cl)cccc1Cl)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is IJGILCOHSQTRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c18-14-4-3-5-15(19)13(14)10-16(20)12-6-9-21-17(11-12)7-1-2-8-17/h3-5,12,16H,1-2,6-11,20H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 328.28 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79908679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).