N-ethyl-2-(2-phenylphenoxy)ethanamine

C16H19NO — CID 6460058

IUPACN-ethyl-2-(2-phenylphenoxy)ethanamine
SMILESCCNCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-17-12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3
InChIKeyQBSQMYLAIVQWAN-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.34
Rot. Bonds6

About N-ethyl-2-(2-phenylphenoxy)ethanamine

N-ethyl-2-(2-phenylphenoxy)ethanamine (PubChem CID 6460058) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-ethyl-2-(2-phenylphenoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-phenylphenoxy)ethanamine
PubChem CID6460058
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-2-(2-phenylphenoxy)ethanamine
SMILESCCNCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-17-12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3
InChIKeyQBSQMYLAIVQWAN-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.34
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 N-ethyl-2-(2-phenylphenoxy)ethanamine?
The IUPAC name of N-ethyl-2-(2-phenylphenoxy)ethanamine (CID 6460058) is N-ethyl-2-(2-phenylphenoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-phenylphenoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(2-phenylphenoxy)ethanamine is CCNCCOc1ccccc1-c1ccccc1.
What is the InChIKey of N-ethyl-2-(2-phenylphenoxy)ethanamine?
The InChIKey is QBSQMYLAIVQWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-17-12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3.
What are the key properties of N-ethyl-2-(2-phenylphenoxy)ethanamine?
N-ethyl-2-(2-phenylphenoxy)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-phenylphenoxy)ethanamine is sourced from PubChem (CID 6460058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).