N,N-dibenzyl-2-ethoxyethanamine

C18H23NO — CID 3028191

IUPACN,N-dibenzyl-2-ethoxyethanamine
SMILESCCOCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-2-20-14-13-19(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3
InChIKeyWYPJYCBEWOQHCB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.73
Rot. Bonds8

About N,N-dibenzyl-2-ethoxyethanamine

N,N-dibenzyl-2-ethoxyethanamine (PubChem CID 3028191) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dibenzyl-2-ethoxyethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2-ethoxyethanamine
PubChem CID3028191
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN,N-dibenzyl-2-ethoxyethanamine
SMILESCCOCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-2-20-14-13-19(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3
InChIKeyWYPJYCBEWOQHCB-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
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,N-dibenzyl-2-ethoxyethanamine?
The IUPAC name of N,N-dibenzyl-2-ethoxyethanamine (CID 3028191) is N,N-dibenzyl-2-ethoxyethanamine.
What is the SMILES notation for N,N-dibenzyl-2-ethoxyethanamine?
The canonical SMILES for N,N-dibenzyl-2-ethoxyethanamine is CCOCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-ethoxyethanamine?
The InChIKey is WYPJYCBEWOQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-20-14-13-19(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3.
What are the key properties of N,N-dibenzyl-2-ethoxyethanamine?
N,N-dibenzyl-2-ethoxyethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-ethoxyethanamine is sourced from PubChem (CID 3028191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).