3-(3-ethylphenoxy)spiro[3.4]octan-1-amine

C16H23NO — CID 66358408

IUPAC3-(3-ethylphenoxy)spiro[3.4]octan-1-amine
SMILESCCc1cccc(OC2CC(N)C23CCCC3)c1
InChIInChI=1S/C16H23NO/c1-2-12-6-5-7-13(10-12)18-15-11-14(17)16(15)8-3-4-9-16/h5-7,10,14-15H,2-4,8-9,11,17H2,1H3
InChIKeyOIEWRDUWGPYHFO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.29
Rot. Bonds3

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

3-(3-ethylphenoxy)spiro[3.4]octan-1-amine (PubChem CID 66358408) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(3-ethylphenoxy)spiro[3.4]octan-1-amine
PubChem CID66358408
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(3-ethylphenoxy)spiro[3.4]octan-1-amine
SMILESCCc1cccc(OC2CC(N)C23CCCC3)c1
InChIInChI=1S/C16H23NO/c1-2-12-6-5-7-13(10-12)18-15-11-14(17)16(15)8-3-4-9-16/h5-7,10,14-15H,2-4,8-9,11,17H2,1H3
InChIKeyOIEWRDUWGPYHFO-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66359016
3-naphthalen-2-yloxyspiro[3.4]octan-1-amine
CID 66358347
3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
CID 66345392
3-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66358870
3-(4-butan-2-ylphenoxy)spiro[3.4]octan-1-amine
CID 107669428
3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine
CID 66358515
3-(2,3-dihydro-1H-inden-5-yloxy)spiro[3.5]nonan-1-amine
CID 66358625
3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine
CID 66357532
(3-ethylphenoxy)cyclooctane
CID 91220327
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
3-(4-bromo-3-fluorophenoxy)spiro[3.4]octan-1-amine
CID 66352935
N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
CID 66358001

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(3-ethylphenoxy)spiro[3.4]octan-1-amine (CID 66358408) is 3-(3-ethylphenoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(3-ethylphenoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(3-ethylphenoxy)spiro[3.4]octan-1-amine is CCc1cccc(OC2CC(N)C23CCCC3)c1.
What is the InChIKey of 3-(3-ethylphenoxy)spiro[3.4]octan-1-amine?
The InChIKey is OIEWRDUWGPYHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-12-6-5-7-13(10-12)18-15-11-14(17)16(15)8-3-4-9-16/h5-7,10,14-15H,2-4,8-9,11,17H2,1H3.
What are the key properties of 3-(3-ethylphenoxy)spiro[3.4]octan-1-amine?
3-(3-ethylphenoxy)spiro[3.4]octan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66358408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).