1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine

C18H29NO2 — CID 80610107

IUPAC1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
SMILESCCOc1ccccc1OCCC1(N)CCCCCCC1
InChIInChI=1S/C18H29NO2/c1-2-20-16-10-6-7-11-17(16)21-15-14-18(19)12-8-4-3-5-9-13-18/h6-7,10-11H,2-5,8-9,12-15,19H2,1H3
InChIKeyZQFNHWRQSGEEJE-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.30
Rot. Bonds6

About 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine

1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine (PubChem CID 80610107) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
PubChem CID80610107
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
SMILESCCOc1ccccc1OCCC1(N)CCCCCCC1
InChIInChI=1S/C18H29NO2/c1-2-20-16-10-6-7-11-17(16)21-15-14-18(19)12-8-4-3-5-9-13-18/h6-7,10-11H,2-5,8-9,12-15,19H2,1H3
InChIKeyZQFNHWRQSGEEJE-UHFFFAOYSA-N
XLogP4.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 28917907
2-(1-aminocyclopentyl)-3-ethoxyphenol
CID 117316542
2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine (CID 80610107) is 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine is CCOc1ccccc1OCCC1(N)CCCCCCC1.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine?
The InChIKey is ZQFNHWRQSGEEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-20-16-10-6-7-11-17(16)21-15-14-18(19)12-8-4-3-5-9-13-18/h6-7,10-11H,2-5,8-9,12-15,19H2,1H3.
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine?
1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine is sourced from PubChem (CID 80610107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).