6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H22ClNO2 — CID 18436279

IUPAC6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1CCC2(OCCO2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNO2/c1-18(2)14-7-8-16(19-9-10-20-16)15(11-14)12-3-5-13(17)6-4-12/h3-6,14-15H,7-11H2,1-2H3
InChIKeyDCPSBWATQDVMNY-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.28
Rot. Bonds2

About 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 18436279) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID18436279
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1CCC2(OCCO2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNO2/c1-18(2)14-7-8-16(19-9-10-20-16)15(11-14)12-3-5-13(17)6-4-12/h3-6,14-15H,7-11H2,1-2H3
InChIKeyDCPSBWATQDVMNY-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 18436279) is 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)C1CCC2(OCCO2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is DCPSBWATQDVMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-18(2)14-7-8-16(19-9-10-20-16)15(11-14)12-3-5-13(17)6-4-12/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 295.81 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 18436279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).