2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine

C16H22ClNO2 — CID 79914830

IUPAC2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(Cc1ccccc1Cl)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22ClNO2/c17-14-4-2-1-3-12(14)9-15(18)13-5-7-20-16(10-13)6-8-19-11-16/h1-4,13,15H,5-11,18H2
InChIKeyOSJVDRKJGZNPCR-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine

2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79914830) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79914830
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(Cc1ccccc1Cl)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22ClNO2/c17-14-4-2-1-3-12(14)9-15(18)13-5-7-20-16(10-13)6-8-19-11-16/h1-4,13,15H,5-11,18H2
InChIKeyOSJVDRKJGZNPCR-UHFFFAOYSA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(3-methylphenyl)ethanamine
CID 79914739
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908679
2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908675
[(3-chloro-2-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 103445920
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine
CID 79911409
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
CID 79908712
2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79911439
2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79909984
[2-(2-chlorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105209506
2-(2-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914735

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine (CID 79914830) is 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine is NC(Cc1ccccc1Cl)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is OSJVDRKJGZNPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-14-4-2-1-3-12(14)9-15(18)13-5-7-20-16(10-13)6-8-19-11-16/h1-4,13,15H,5-11,18H2.
What are the key properties of 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 295.81 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79914830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).