N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine

C20H28N2O2 — CID 12600620

IUPACN-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine
SMILESc1ccc(CNCCOCCOCCNCc2ccccc2)cc1
InChIInChI=1S/C20H28N2O2/c1-3-7-19(8-4-1)17-21-11-13-23-15-16-24-14-12-22-18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeyFQEGBHFZAGTXDY-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.60
Rot. Bonds13

About N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine

N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine (PubChem CID 12600620) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine
PubChem CID12600620
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine
SMILESc1ccc(CNCCOCCOCCNCc2ccccc2)cc1
InChIInChI=1S/C20H28N2O2/c1-3-7-19(8-4-1)17-21-11-13-23-15-16-24-14-12-22-18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeyFQEGBHFZAGTXDY-UHFFFAOYSA-N
XLogP2.60
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine?
The IUPAC name of N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine (CID 12600620) is N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine is c1ccc(CNCCOCCOCCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine?
The InChIKey is FQEGBHFZAGTXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-7-19(8-4-1)17-21-11-13-23-15-16-24-14-12-22-18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2.
What are the key properties of N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine?
N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine has a molecular weight of 328.46 g/mol, XLogP of 2.60, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 12600620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).