1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine

C13H21NO2 — CID 155485802

IUPAC1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine
SMILESCCC(C)(C)OC(N)COc1ccccc1
InChIInChI=1S/C13H21NO2/c1-4-13(2,3)16-12(14)10-15-11-8-6-5-7-9-11/h5-9,12H,4,10,14H2,1-3H3
InChIKeyQYFDMSGQUZJOAS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.56
Rot. Bonds6

About 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine

1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine (PubChem CID 155485802) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine
PubChem CID155485802
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine
SMILESCCC(C)(C)OC(N)COc1ccccc1
InChIInChI=1S/C13H21NO2/c1-4-13(2,3)16-12(14)10-15-11-8-6-5-7-9-11/h5-9,12H,4,10,14H2,1-3H3
InChIKeyQYFDMSGQUZJOAS-UHFFFAOYSA-N
XLogP2.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine?
The IUPAC name of 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine (CID 155485802) is 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine is CCC(C)(C)OC(N)COc1ccccc1.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine?
The InChIKey is QYFDMSGQUZJOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(2,3)16-12(14)10-15-11-8-6-5-7-9-11/h5-9,12H,4,10,14H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine?
1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)-2-phenoxyethanamine is sourced from PubChem (CID 155485802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).