8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H22ClNO2 — CID 12595627

IUPAC8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccccc2Cl)CCC2(CC1)OCCO2
InChIInChI=1S/C16H22ClNO2/c1-18(2)15(13-5-3-4-6-14(13)17)7-9-16(10-8-15)19-11-12-20-16/h3-6H,7-12H2,1-2H3
InChIKeyXYCOPOJCECPICF-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.41
Rot. Bonds2

About 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 12595627) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID12595627
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccccc2Cl)CCC2(CC1)OCCO2
InChIInChI=1S/C16H22ClNO2/c1-18(2)15(13-5-3-4-6-14(13)17)7-9-16(10-8-15)19-11-12-20-16/h3-6H,7-12H2,1-2H3
InChIKeyXYCOPOJCECPICF-UHFFFAOYSA-N
XLogP3.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595611
N,N-dimethyl-8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595615
N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595617
8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595626
8-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595631
8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595636
N,N-dimethyl-8-(4-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595619
8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595629
8-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595633
8-(2,4-dichlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595634
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 103046621
N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 13345261

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 12595627) is 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)C1(c2ccccc2Cl)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is XYCOPOJCECPICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-18(2)15(13-5-3-4-6-14(13)17)7-9-16(10-8-15)19-11-12-20-16/h3-6H,7-12H2,1-2H3.
What are the key properties of 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 295.81 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 12595627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).