2-[2-(benzylamino)ethoxy]-N-ethylethanamine

C13H22N2O — CID 18338934

IUPAC2-[2-(benzylamino)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCNCc1ccccc1
InChIInChI=1S/C13H22N2O/c1-2-14-8-10-16-11-9-15-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKeyZVEZCZRVAJRQGS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.40
Rot. Bonds9

About 2-[2-(benzylamino)ethoxy]-N-ethylethanamine

2-[2-(benzylamino)ethoxy]-N-ethylethanamine (PubChem CID 18338934) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(benzylamino)ethoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(benzylamino)ethoxy]-N-ethylethanamine
PubChem CID18338934
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-(benzylamino)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCNCc1ccccc1
InChIInChI=1S/C13H22N2O/c1-2-14-8-10-16-11-9-15-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKeyZVEZCZRVAJRQGS-UHFFFAOYSA-N
XLogP1.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.40
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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Related Compounds

N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
N-benzylethanamine;tris(yttrium)
CID 158198357
N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
CID 51346176
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine;oxalic acid
CID 2922259
N-benzylethanamine;trimethylsilane
CID 173401135

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)ethoxy]-N-ethylethanamine?
The IUPAC name of 2-[2-(benzylamino)ethoxy]-N-ethylethanamine (CID 18338934) is 2-[2-(benzylamino)ethoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(benzylamino)ethoxy]-N-ethylethanamine?
The canonical SMILES for 2-[2-(benzylamino)ethoxy]-N-ethylethanamine is CCNCCOCCNCc1ccccc1.
What is the InChIKey of 2-[2-(benzylamino)ethoxy]-N-ethylethanamine?
The InChIKey is ZVEZCZRVAJRQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-14-8-10-16-11-9-15-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3.
What are the key properties of 2-[2-(benzylamino)ethoxy]-N-ethylethanamine?
2-[2-(benzylamino)ethoxy]-N-ethylethanamine has a molecular weight of 222.33 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)ethoxy]-N-ethylethanamine is sourced from PubChem (CID 18338934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).