N-ethoxy-2-phenylethanamine

C10H15NO — CID 54137768

IUPACN-ethoxy-2-phenylethanamine
SMILESCCONCCc1ccccc1
InChIInChI=1S/C10H15NO/c1-2-12-11-9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyNYXLQAXLSIUFCO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.77
Rot. Bonds5

About N-ethoxy-2-phenylethanamine

N-ethoxy-2-phenylethanamine (PubChem CID 54137768) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-ethoxy-2-phenylethanamine.

Molecular Properties

Compound NameN-ethoxy-2-phenylethanamine
PubChem CID54137768
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-ethoxy-2-phenylethanamine
SMILESCCONCCc1ccccc1
InChIInChI=1S/C10H15NO/c1-2-12-11-9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyNYXLQAXLSIUFCO-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-phenylethanamine?
The IUPAC name of N-ethoxy-2-phenylethanamine (CID 54137768) is N-ethoxy-2-phenylethanamine.
What is the SMILES notation for N-ethoxy-2-phenylethanamine?
The canonical SMILES for N-ethoxy-2-phenylethanamine is CCONCCc1ccccc1.
What is the InChIKey of N-ethoxy-2-phenylethanamine?
The InChIKey is NYXLQAXLSIUFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-12-11-9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of N-ethoxy-2-phenylethanamine?
N-ethoxy-2-phenylethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-phenylethanamine is sourced from PubChem (CID 54137768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).