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

C16H22FNO — CID 81348055

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESC[C@H](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/t12-,15?/m0/s1
InChIKeyDTZDQKLDKLKKPA-SFVWDYPZSA-N
MW263.36 g/mol
LogP3.58
Rot. Bonds3

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

N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 81348055) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID81348055
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESC[C@H](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/t12-,15?/m0/s1
InChIKeyDTZDQKLDKLKKPA-SFVWDYPZSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (CID 81348055) is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine is C[C@H](NC1CCOC2(CCC2)C1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is DTZDQKLDKLKKPA-SFVWDYPZSA-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/t12-,15?/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(1S)-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-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 81348055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).