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

C17H23BrClNO — CID 66352469

IUPAC3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2cc(Br)ccc2Cl)C12CCCCC2
InChIInChI=1S/C17H23BrClNO/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
InChIKeyHNGOXBHWUAWGMA-UHFFFAOYSA-N
MW372.73 g/mol
LogP5.18
Rot. Bonds4

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

3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine (PubChem CID 66352469) has the molecular formula C17H23BrClNO and a molecular weight of 372.73 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
PubChem CID66352469
Molecular FormulaC17H23BrClNO
Molecular Weight372.73 g/mol
Exact Mass371.07
IUPAC Name3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2cc(Br)ccc2Cl)C12CCCCC2
InChIInChI=1S/C17H23BrClNO/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
InChIKeyHNGOXBHWUAWGMA-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.73
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 114677226
3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350264
3-(4-bromo-2,5-dichlorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 107662308
3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66350697
1-(5-bromo-2-chlorophenoxy)-3-chlorospiro[3.6]decane
CID 66345592
3-(5-chloro-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350968
3-(4-chloro-3-ethylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66356846
3-(5-bromo-2-chlorophenoxy)spiro[3.4]octan-1-ol
CID 66343757
3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
3-(2-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66359577
N-ethyl-3-(2,4,6-trichlorophenoxy)spiro[3.4]octan-1-amine
CID 66359462

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine (CID 66352469) is 3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine is CCNC1CC(Oc2cc(Br)ccc2Cl)C12CCCCC2.
What is the InChIKey of 3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine?
The InChIKey is HNGOXBHWUAWGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrClNO/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-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine?
3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine has a molecular weight of 372.73 g/mol, XLogP of 5.18, 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-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 66352469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).