3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine

C16H23NO2 — CID 66357773

IUPAC3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(OCCOc2ccccc2)C12CCCC2
InChIInChI=1S/C16H23NO2/c17-14-12-15(16(14)8-4-5-9-16)19-11-10-18-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,17H2
InChIKeyHSUMEWSXQFMAOC-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.74
Rot. Bonds5

About 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine

3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine (PubChem CID 66357773) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine
PubChem CID66357773
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(OCCOc2ccccc2)C12CCCC2
InChIInChI=1S/C16H23NO2/c17-14-12-15(16(14)8-4-5-9-16)19-11-10-18-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,17H2
InChIKeyHSUMEWSXQFMAOC-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
CID 66358588
3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane
CID 66346345
2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine
CID 79836751
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351552
3-naphthalen-2-yloxyspiro[3.4]octan-1-amine
CID 66358347
1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
CID 64573978
1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
3-(2-iodophenoxy)spiro[3.4]octan-1-amine
CID 66358472
3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66358870
6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331034
2-phenoxyethylmercury
CID 163598363

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine (CID 66357773) is 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine is NC1CC(OCCOc2ccccc2)C12CCCC2.
What is the InChIKey of 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine?
The InChIKey is HSUMEWSXQFMAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-14-12-15(16(14)8-4-5-9-16)19-11-10-18-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,17H2.
What are the key properties of 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine?
3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66357773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).