2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine

C17H27NO2 — CID 62704642

IUPAC2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
SMILESCCOc1ccccc1OC1CC(C(C)C)CCC1N
InChIInChI=1S/C17H27NO2/c1-4-19-15-7-5-6-8-16(15)20-17-11-13(12(2)3)9-10-14(17)18/h5-8,12-14,17H,4,9-11,18H2,1-3H3
InChIKeyWZGLIPROJSVVLI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds5

About 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine

2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62704642) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
PubChem CID62704642
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
SMILESCCOc1ccccc1OC1CC(C(C)C)CCC1N
InChIInChI=1S/C17H27NO2/c1-4-19-15-7-5-6-8-16(15)20-17-11-13(12(2)3)9-10-14(17)18/h5-8,12-14,17H,4,9-11,18H2,1-3H3
InChIKeyWZGLIPROJSVVLI-UHFFFAOYSA-N
XLogP3.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine (CID 62704642) is 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine is CCOc1ccccc1OC1CC(C(C)C)CCC1N.
What is the InChIKey of 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is WZGLIPROJSVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-19-15-7-5-6-8-16(15)20-17-11-13(12(2)3)9-10-14(17)18/h5-8,12-14,17H,4,9-11,18H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine?
2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62704642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).