N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C17H24FNO2 — CID 114345973

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1cc(F)ccc1CN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H24FNO2/c1-13-11-15(18)4-3-14(13)12-19(2)16-5-7-17(8-6-16)20-9-10-21-17/h3-4,11,16H,5-10,12H2,1-2H3
InChIKeyQGJGRWILUFXHCM-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.25
Rot. Bonds3

About N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 114345973) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID114345973
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1cc(F)ccc1CN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H24FNO2/c1-13-11-15(18)4-3-14(13)12-19(2)16-5-7-17(8-6-16)20-9-10-21-17/h3-4,11,16H,5-10,12H2,1-2H3
InChIKeyQGJGRWILUFXHCM-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 114345973) is N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is Cc1cc(F)ccc1CN(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QGJGRWILUFXHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13-11-15(18)4-3-14(13)12-19(2)16-5-7-17(8-6-16)20-9-10-21-17/h3-4,11,16H,5-10,12H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 293.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 114345973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).