N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C17H24FNO2 — CID 155957835

IUPACN-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CC2(CCC1NCCc1ccccc1F)OCCO2
InChIInChI=1S/C17H24FNO2/c1-13-12-17(20-10-11-21-17)8-6-16(13)19-9-7-14-4-2-3-5-15(14)18/h2-5,13,16,19H,6-12H2,1H3
InChIKeyNFAVGVCXWBHFII-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.89
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 155957835) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID155957835
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CC2(CCC1NCCc1ccccc1F)OCCO2
InChIInChI=1S/C17H24FNO2/c1-13-12-17(20-10-11-21-17)8-6-16(13)19-9-7-14-4-2-3-5-15(14)18/h2-5,13,16,19H,6-12H2,1H3
InChIKeyNFAVGVCXWBHFII-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 155957835) is N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CC1CC2(CCC1NCCc1ccccc1F)OCCO2.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is NFAVGVCXWBHFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13-12-17(20-10-11-21-17)8-6-16(13)19-9-7-14-4-2-3-5-15(14)18/h2-5,13,16,19H,6-12H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 293.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 155957835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).