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

C17H27NO2 — CID 62704274

IUPAC2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
SMILESCCOc1ccc(OC2CC(C(C)C)CCC2N)cc1
InChIInChI=1S/C17H27NO2/c1-4-19-14-6-8-15(9-7-14)20-17-11-13(12(2)3)5-10-16(17)18/h6-9,12-13,16-17H,4-5,10-11,18H2,1-3H3
InChIKeyRJYFHXNKVTUBMK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds5

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

2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62704274) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
PubChem CID62704274
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
SMILESCCOc1ccc(OC2CC(C(C)C)CCC2N)cc1
InChIInChI=1S/C17H27NO2/c1-4-19-14-6-8-15(9-7-14)20-17-11-13(12(2)3)5-10-16(17)18/h6-9,12-13,16-17H,4-5,10-11,18H2,1-3H3
InChIKeyRJYFHXNKVTUBMK-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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Related Compounds

2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 62704642
2-(4-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 60916863
[(4-ethoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232452
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 102981024
2-(3-ethoxyphenoxy)-4-propylcyclohexan-1-amine
CID 62336151
2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985
2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401544
2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472714
1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016935
[(4-ethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233127
6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836385

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine (CID 62704274) is 2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine is CCOc1ccc(OC2CC(C(C)C)CCC2N)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is RJYFHXNKVTUBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-19-14-6-8-15(9-7-14)20-17-11-13(12(2)3)5-10-16(17)18/h6-9,12-13,16-17H,4-5,10-11,18H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine?
2-(4-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-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62704274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).