N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H21Cl2NO2 — CID 79118637

IUPACN-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1c(Cl)cccc1Cl)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21Cl2NO2/c1-19(11-13-14(17)3-2-4-15(13)18)12-5-7-16(8-6-12)20-9-10-21-16/h2-4,12H,5-11H2,1H3
InChIKeyQMDLCXIISNRROQ-UHFFFAOYSA-N
MW330.25 g/mol
LogP4.11
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79118637) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79118637
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1c(Cl)cccc1Cl)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21Cl2NO2/c1-19(11-13-14(17)3-2-4-15(13)18)12-5-7-16(8-6-12)20-9-10-21-16/h2-4,12H,5-11H2,1H3
InChIKeyQMDLCXIISNRROQ-UHFFFAOYSA-N
XLogP4.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 79118637) is N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(Cc1c(Cl)cccc1Cl)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QMDLCXIISNRROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-19(11-13-14(17)3-2-4-15(13)18)12-5-7-16(8-6-12)20-9-10-21-16/h2-4,12H,5-11H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 330.25 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 N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79118637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).