1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine

C17H23Cl2NO2 — CID 69333688

IUPAC1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C17H23Cl2NO2/c1-20(2)12-16(13-3-4-14(18)15(19)11-13)5-7-17(8-6-16)21-9-10-22-17/h3-4,11H,5-10,12H2,1-2H3
InChIKeyQIQXSFJNUMZWBG-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.11
Rot. Bonds3

About 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine

1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine (PubChem CID 69333688) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
PubChem CID69333688
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC Name1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C17H23Cl2NO2/c1-20(2)12-16(13-3-4-14(18)15(19)11-13)5-7-17(8-6-16)21-9-10-22-17/h3-4,11H,5-10,12H2,1-2H3
InChIKeyQIQXSFJNUMZWBG-UHFFFAOYSA-N
XLogP4.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine (CID 69333688) is 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine is CN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)OCCO2.
What is the InChIKey of 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
The InChIKey is QIQXSFJNUMZWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-20(2)12-16(13-3-4-14(18)15(19)11-13)5-7-17(8-6-16)21-9-10-22-17/h3-4,11H,5-10,12H2,1-2H3.
What are the key properties of 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine?
1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine has a molecular weight of 344.28 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3,4-dichlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 69333688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).