2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol

C13H22N2O2 — CID 61069966

IUPAC2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
SMILESNCCN(CCOCCO)Cc1ccccc1
InChIInChI=1S/C13H22N2O2/c14-6-7-15(8-10-17-11-9-16)12-13-4-2-1-3-5-13/h1-5,16H,6-12,14H2
InChIKeyCGSYVQDUSVVNPD-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.46
Rot. Bonds9

About 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol

2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol (PubChem CID 61069966) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
PubChem CID61069966
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
SMILESNCCN(CCOCCO)Cc1ccccc1
InChIInChI=1S/C13H22N2O2/c14-6-7-15(8-10-17-11-9-16)12-13-4-2-1-3-5-13/h1-5,16H,6-12,14H2
InChIKeyCGSYVQDUSVVNPD-UHFFFAOYSA-N
XLogP0.46
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.46
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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Related Compounds

5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
CID 122198142
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
N'-benzyl-N'-[2-(3-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 104859131
3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide
CID 104859038
2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol
CID 62114756
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
3-[(4-cyanophenyl)methyl-[2-(2-hydroxyethoxy)ethyl]amino]propanoic acid
CID 82329989

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol (CID 61069966) is 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol is NCCN(CCOCCO)Cc1ccccc1.
What is the InChIKey of 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol?
The InChIKey is CGSYVQDUSVVNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-6-7-15(8-10-17-11-9-16)12-13-4-2-1-3-5-13/h1-5,16H,6-12,14H2.
What are the key properties of 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol?
2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol is sourced from PubChem (CID 61069966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).