1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

C14H23NO2 — CID 82719782

IUPAC1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCOc1ccc(C(C)NOC(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-6-16-13-9-7-12(8-10-13)11(2)15-17-14(3,4)5/h7-11,15H,6H2,1-5H3
InChIKeyLYIRBDARNUNADF-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 82719782) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID82719782
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCOc1ccc(C(C)NOC(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-6-16-13-9-7-12(8-10-13)11(2)15-17-14(3,4)5/h7-11,15H,6H2,1-5H3
InChIKeyLYIRBDARNUNADF-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]benzonitrile
CID 82721123
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
2-(tert-butylamino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 47844270
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 82719782) is 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is CCOc1ccc(C(C)NOC(C)(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is LYIRBDARNUNADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-16-13-9-7-12(8-10-13)11(2)15-17-14(3,4)5/h7-11,15H,6H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 82719782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).