1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C13H21NO4 — CID 162513752

IUPAC1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESOCCOCCOCC(O)NCc1ccccc1
InChIInChI=1S/C13H21NO4/c15-6-7-17-8-9-18-11-13(16)14-10-12-4-2-1-3-5-12/h1-5,13-16H,6-11H2
InChIKeyYLAYNWPSAWNGBX-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.12
Rot. Bonds10

About 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol

1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 162513752) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID162513752
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESOCCOCCOCC(O)NCc1ccccc1
InChIInChI=1S/C13H21NO4/c15-6-7-17-8-9-18-11-13(16)14-10-12-4-2-1-3-5-12/h1-5,13-16H,6-11H2
InChIKeyYLAYNWPSAWNGBX-UHFFFAOYSA-N
XLogP0.12
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1R,2S)-2-(benzylamino)-1-phenylpropoxy]ethoxy]ethanol
CID 102206695
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
CID 67882501
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[(benzylamino)methoxy]ethanol
CID 118685935
1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine
CID 20556501
3-[2-(2-hydroxyethoxy)ethoxy]-1,1,1-triphenylpropan-2-ol
CID 141363951
2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54143960
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
(benzylamino)-methoxymethanol
CID 154551883
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 162513752) is 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol is OCCOCCOCC(O)NCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is YLAYNWPSAWNGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-6-7-17-8-9-18-11-13(16)14-10-12-4-2-1-3-5-12/h1-5,13-16H,6-11H2.
What are the key properties of 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 255.31 g/mol, XLogP of 0.12, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 162513752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).