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

C16H22ClNO2 — CID 79120158

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1cccc(Cl)c1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H22ClNO2/c1-18(12-13-3-2-4-14(17)11-13)15-5-7-16(8-6-15)19-9-10-20-16/h2-4,11,15H,5-10,12H2,1H3
InChIKeyAWHXDTVJTGBSRZ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.46
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79120158) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79120158
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1cccc(Cl)c1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H22ClNO2/c1-18(12-13-3-2-4-14(17)11-13)15-5-7-16(8-6-15)19-9-10-20-16/h2-4,11,15H,5-10,12H2,1H3
InChIKeyAWHXDTVJTGBSRZ-UHFFFAOYSA-N
XLogP3.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 79120158) is N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(Cc1cccc(Cl)c1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is AWHXDTVJTGBSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-18(12-13-3-2-4-14(17)11-13)15-5-7-16(8-6-15)19-9-10-20-16/h2-4,11,15H,5-10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 295.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79120158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).