3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine

C17H23BrFNO — CID 114677226

IUPAC3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2cc(Br)ccc2F)C12CCCCC2
InChIInChI=1S/C17H23BrFNO/c1-2-20-15-11-16(17(15)8-4-3-5-9-17)21-14-10-12(18)6-7-13(14)19/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3
InChIKeyDDIBPSJDPKOCRH-UHFFFAOYSA-N
MW356.28 g/mol
LogP4.67
Rot. Bonds4

About 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine

3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine (PubChem CID 114677226) has the molecular formula C17H23BrFNO and a molecular weight of 356.28 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
PubChem CID114677226
Molecular FormulaC17H23BrFNO
Molecular Weight356.28 g/mol
Exact Mass355.09
IUPAC Name3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2cc(Br)ccc2F)C12CCCCC2
InChIInChI=1S/C17H23BrFNO/c1-2-20-15-11-16(17(15)8-4-3-5-9-17)21-14-10-12(18)6-7-13(14)19/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3
InChIKeyDDIBPSJDPKOCRH-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66352469
3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350264
N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357502
3-(5-bromo-2-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114677211
3-(3-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 83238202
3-(2-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66359577
3-(2,4-difluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66357541
3-(5-bromo-2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 114677220
3-(5-chloro-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350968
3-(3-bromo-5-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 81325638
N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
CID 107662355
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine (CID 114677226) is 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine is CCNC1CC(Oc2cc(Br)ccc2F)C12CCCCC2.
What is the InChIKey of 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine?
The InChIKey is DDIBPSJDPKOCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFNO/c1-2-20-15-11-16(17(15)8-4-3-5-9-17)21-14-10-12(18)6-7-13(14)19/h6-7,10,15-16,20H,2-5,8-9,11H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine?
3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine has a molecular weight of 356.28 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 114677226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).