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

C18H24N2O — CID 13126655

IUPACN-benzyl-2-[2-(benzylamino)ethoxy]ethanamine
SMILESc1ccc(CNCCOCCNCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-3-7-17(8-4-1)15-19-11-13-21-14-12-20-16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyPGEYIIVEVARHEZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.58
Rot. Bonds10

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

N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine (PubChem CID 13126655) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[2-(benzylamino)ethoxy]ethanamine
PubChem CID13126655
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-benzyl-2-[2-(benzylamino)ethoxy]ethanamine
SMILESc1ccc(CNCCOCCNCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-3-7-17(8-4-1)15-19-11-13-21-14-12-20-16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyPGEYIIVEVARHEZ-UHFFFAOYSA-N
XLogP2.58
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
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-benzyl-2-[2-(benzylamino)ethoxy]ethanamine?
The IUPAC name of N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine (CID 13126655) is N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine is c1ccc(CNCCOCCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine?
The InChIKey is PGEYIIVEVARHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-7-17(8-4-1)15-19-11-13-21-14-12-20-16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2.
What are the key properties of N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine?
N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine is sourced from PubChem (CID 13126655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).