N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine

C16H22FNO — CID 79895662

IUPACN-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(NC1CCOC2(CCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-12(13-3-5-14(17)6-4-13)18-15-7-10-19-16(11-15)8-2-9-16/h3-6,12,15,18H,2,7-11H2,1H3
InChIKeyDTZDQKLDKLKKPA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine

N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895662) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895662
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(NC1CCOC2(CCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-12(13-3-5-14(17)6-4-13)18-15-7-10-19-16(11-15)8-2-9-16/h3-6,12,15,18H,2,7-11H2,1H3
InChIKeyDTZDQKLDKLKKPA-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81348055
N-[(1R)-1-(4-bromophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81360031
N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81399877
N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28623453
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81352982
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81355317
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899
N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978837
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81365301
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79895662) is N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine is CC(NC1CCOC2(CCC2)C1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is DTZDQKLDKLKKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12(13-3-5-14(17)6-4-13)18-15-7-10-19-16(11-15)8-2-9-16/h3-6,12,15,18H,2,7-11H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 263.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).