8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H22ClNO2 — CID 12595629

IUPAC8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccc(Cl)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H22ClNO2/c1-18(2)15(13-4-3-5-14(17)12-13)6-8-16(9-7-15)19-10-11-20-16/h3-5,12H,6-11H2,1-2H3
InChIKeyWSARVFORCPPGKC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.41
Rot. Bonds2

About 8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 12595629) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID12595629
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccc(Cl)c2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H22ClNO2/c1-18(2)15(13-4-3-5-14(17)12-13)6-8-16(9-7-15)19-10-11-20-16/h3-5,12H,6-11H2,1-2H3
InChIKeyWSARVFORCPPGKC-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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Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 12595629) is 8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)C1(c2cccc(Cl)c2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is WSARVFORCPPGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-18(2)15(13-4-3-5-14(17)12-13)6-8-16(9-7-15)19-10-11-20-16/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 8-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-(3-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-(3-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 12595629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).