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

C16H22FNO2 — CID 28623453

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CC1)OCCO2)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-12(13-2-4-14(17)5-3-13)18-15-6-8-16(9-7-15)19-10-11-20-16/h2-5,12,15,18H,6-11H2,1H3/t12-/m0/s1
InChIKeyAYZLRUMUCFOYGR-LBPRGKRZSA-N
MW279.35 g/mol
LogP3.16
Rot. Bonds3

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

N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 28623453) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID28623453
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CC1)OCCO2)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-12(13-2-4-14(17)5-3-13)18-15-6-8-16(9-7-15)19-10-11-20-16/h2-5,12,15,18H,6-11H2,1H3/t12-/m0/s1
InChIKeyAYZLRUMUCFOYGR-LBPRGKRZSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 28623453) is N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is C[C@H](NC1CCC2(CC1)OCCO2)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is AYZLRUMUCFOYGR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(13-2-4-14(17)5-3-13)18-15-6-8-16(9-7-15)19-10-11-20-16/h2-5,12,15,18H,6-11H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 279.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 28623453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).