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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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79118637
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 105400817
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762949
N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120082
N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120234
2-[(3-chlorophenyl)methyl-methylamino]cycloheptane-1-carboxylic acid
CID 63069357
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 79119503
5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866419
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
CID 62390445
1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol
CID 79119752

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).