3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine

C17H25NO — CID 66358870

IUPAC3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
SMILESCCc1ccccc1OC1CC(N)C12CCCCC2
InChIInChI=1S/C17H25NO/c1-2-13-8-4-5-9-14(13)19-16-12-15(18)17(16)10-6-3-7-11-17/h4-5,8-9,15-16H,2-3,6-7,10-12,18H2,1H3
InChIKeyAIEZAGHKWXTWOR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.68
Rot. Bonds3

About 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine

3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine (PubChem CID 66358870) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
PubChem CID66358870
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
SMILESCCc1ccccc1OC1CC(N)C12CCCCC2
InChIInChI=1S/C17H25NO/c1-2-13-8-4-5-9-14(13)19-16-12-15(18)17(16)10-6-3-7-11-17/h4-5,8-9,15-16H,2-3,6-7,10-12,18H2,1H3
InChIKeyAIEZAGHKWXTWOR-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine (CID 66358870) is 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine is CCc1ccccc1OC1CC(N)C12CCCCC2.
What is the InChIKey of 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine?
The InChIKey is AIEZAGHKWXTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-13-8-4-5-9-14(13)19-16-12-15(18)17(16)10-6-3-7-11-17/h4-5,8-9,15-16H,2-3,6-7,10-12,18H2,1H3.
What are the key properties of 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine?
3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 66358870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).