2-(2-phenylethoxy)ethanamine

C10H15NO — CID 18779062

IUPAC2-(2-phenylethoxy)ethanamine
SMILESNCCOCCc1ccccc1
InChIInChI=1S/C10H15NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5H,6-9,11H2
InChIKeyDEAFSYBOATUGFE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.20
Rot. Bonds5

About 2-(2-phenylethoxy)ethanamine

2-(2-phenylethoxy)ethanamine (PubChem CID 18779062) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(2-phenylethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-phenylethoxy)ethanamine
PubChem CID18779062
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(2-phenylethoxy)ethanamine
SMILESNCCOCCc1ccccc1
InChIInChI=1S/C10H15NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5H,6-9,11H2
InChIKeyDEAFSYBOATUGFE-UHFFFAOYSA-N
XLogP1.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)ethanamine?
The IUPAC name of 2-(2-phenylethoxy)ethanamine (CID 18779062) is 2-(2-phenylethoxy)ethanamine.
What is the SMILES notation for 2-(2-phenylethoxy)ethanamine?
The canonical SMILES for 2-(2-phenylethoxy)ethanamine is NCCOCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethoxy)ethanamine?
The InChIKey is DEAFSYBOATUGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5H,6-9,11H2.
What are the key properties of 2-(2-phenylethoxy)ethanamine?
2-(2-phenylethoxy)ethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)ethanamine is sourced from PubChem (CID 18779062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).