3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine

C17H24FNO — CID 66357529

IUPAC3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(Oc2cccc(F)c2)C12CCCCCC2
InChIInChI=1S/C17H24FNO/c1-19-15-12-16(17(15)9-4-2-3-5-10-17)20-14-8-6-7-13(18)11-14/h6-8,11,15-16,19H,2-5,9-10,12H2,1H3
InChIKeyHPAXDUZQPXWUBO-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.91
Rot. Bonds3

About 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine

3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine (PubChem CID 66357529) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
PubChem CID66357529
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(Oc2cccc(F)c2)C12CCCCCC2
InChIInChI=1S/C17H24FNO/c1-19-15-12-16(17(15)9-4-2-3-5-10-17)20-14-8-6-7-13(18)11-14/h6-8,11,15-16,19H,2-5,9-10,12H2,1H3
InChIKeyHPAXDUZQPXWUBO-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357329
3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane
CID 66345275
3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82717363
N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine
CID 66356741
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 107171641
3-(2-bromo-4-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357153
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357331
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66358000
N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66359016
N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine
CID 66358042

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine?
The IUPAC name of 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine (CID 66357529) is 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine.
What is the SMILES notation for 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine?
The canonical SMILES for 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine is CNC1CC(Oc2cccc(F)c2)C12CCCCCC2.
What is the InChIKey of 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine?
The InChIKey is HPAXDUZQPXWUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-19-15-12-16(17(15)9-4-2-3-5-10-17)20-14-8-6-7-13(18)11-14/h6-8,11,15-16,19H,2-5,9-10,12H2,1H3.
What are the key properties of 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine?
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine is sourced from PubChem (CID 66357529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).