2-phenoxyethanamine

C8H11NO — CID 15651

IUPAC2-phenoxyethanamine
SMILESNCCOc1ccccc1
InChIInChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyIMLAIXAZMVDRGA-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.02
Rot. Bonds3

About 2-phenoxyethanamine

2-phenoxyethanamine (PubChem CID 15651) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-phenoxyethanamine.

Molecular Properties

Compound Name2-phenoxyethanamine
PubChem CID15651
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-phenoxyethanamine
SMILESNCCOc1ccccc1
InChIInChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyIMLAIXAZMVDRGA-UHFFFAOYSA-N
XLogP1.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethanamine?
The IUPAC name of 2-phenoxyethanamine (CID 15651) is 2-phenoxyethanamine.
What is the SMILES notation for 2-phenoxyethanamine?
The canonical SMILES for 2-phenoxyethanamine is NCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethanamine?
The InChIKey is IMLAIXAZMVDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2.
What are the key properties of 2-phenoxyethanamine?
2-phenoxyethanamine has a molecular weight of 137.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethanamine is sourced from PubChem (CID 15651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).