N-(2-phenoxyethyl)-2-phenylethanamine

C16H19NO — CID 2183053

IUPACN-(2-phenoxyethyl)-2-phenylethanamine
SMILESc1ccc(CCNCCOc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-3-7-15(8-4-1)11-12-17-13-14-18-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyMROWHKRJXTVSGQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.90
Rot. Bonds7

About N-(2-phenoxyethyl)-2-phenylethanamine

N-(2-phenoxyethyl)-2-phenylethanamine (PubChem CID 2183053) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-phenylethanamine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-phenylethanamine
PubChem CID2183053
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(2-phenoxyethyl)-2-phenylethanamine
SMILESc1ccc(CCNCCOc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-3-7-15(8-4-1)11-12-17-13-14-18-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyMROWHKRJXTVSGQ-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.90
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-(2-phenoxyethyl)-2-phenylethanamine?
The IUPAC name of N-(2-phenoxyethyl)-2-phenylethanamine (CID 2183053) is N-(2-phenoxyethyl)-2-phenylethanamine.
What is the SMILES notation for N-(2-phenoxyethyl)-2-phenylethanamine?
The canonical SMILES for N-(2-phenoxyethyl)-2-phenylethanamine is c1ccc(CCNCCOc2ccccc2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-phenylethanamine?
The InChIKey is MROWHKRJXTVSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-7-15(8-4-1)11-12-17-13-14-18-16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of N-(2-phenoxyethyl)-2-phenylethanamine?
N-(2-phenoxyethyl)-2-phenylethanamine has a molecular weight of 241.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-phenylethanamine is sourced from PubChem (CID 2183053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).