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

C16H22ClNO2 — CID 69429048

IUPAC3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1CCC2(CC1)OCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H22ClNO2/c1-18(2)14-7-9-16(10-8-14)19-11-15(20-16)12-3-5-13(17)6-4-12/h3-6,14-15H,7-11H2,1-2H3
InChIKeyICTXVEUXYDWSJV-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.63
Rot. Bonds2

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

3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 69429048) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID69429048
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1CCC2(CC1)OCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H22ClNO2/c1-18(2)14-7-9-16(10-8-14)19-11-15(20-16)12-3-5-13(17)6-4-12/h3-6,14-15H,7-11H2,1-2H3
InChIKeyICTXVEUXYDWSJV-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 69429048) is 3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)C1CCC2(CC1)OCC(c1ccc(Cl)cc1)O2.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is ICTXVEUXYDWSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-18(2)14-7-9-16(10-8-14)19-11-15(20-16)12-3-5-13(17)6-4-12/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 295.81 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 69429048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).