N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine

C18H23NO2 — CID 2934553

IUPACN-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine
SMILESCC(NCCOCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-16(17-8-4-2-5-9-17)19-12-13-20-14-15-21-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyYKYJALSJLXEINP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.43
Rot. Bonds9

About N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine

N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine (PubChem CID 2934553) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine
PubChem CID2934553
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine
SMILESCC(NCCOCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-16(17-8-4-2-5-9-17)19-12-13-20-14-15-21-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyYKYJALSJLXEINP-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine?
The IUPAC name of N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine (CID 2934553) is N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine?
The canonical SMILES for N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine is CC(NCCOCCOc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine?
The InChIKey is YKYJALSJLXEINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-16(17-8-4-2-5-9-17)19-12-13-20-14-15-21-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3.
What are the key properties of N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine?
N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenoxyethoxy)ethyl]-1-phenylethanamine is sourced from PubChem (CID 2934553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).