2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol

C19H25NO3 — CID 2231870

IUPAC2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol
SMILESOCCOCCNCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H25NO3/c21-12-15-22-13-10-20-11-14-23-19-9-5-4-8-18(19)16-17-6-2-1-3-7-17/h1-9,20-21H,10-16H2
InChIKeyITWYEZHCHMFXAW-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.25
Rot. Bonds11

About 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol

2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol (PubChem CID 2231870) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol
PubChem CID2231870
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol
SMILESOCCOCCNCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H25NO3/c21-12-15-22-13-10-20-11-14-23-19-9-5-4-8-18(19)16-17-6-2-1-3-7-17/h1-9,20-21H,10-16H2
InChIKeyITWYEZHCHMFXAW-UHFFFAOYSA-N
XLogP2.25
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.25
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

2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 69276301
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
N-[2-(2-benzylphenoxy)ethyl]propan-2-amine
CID 62598105
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
N-[2-[2-(2-benzylphenoxy)ethylamino]ethyl]-2-(dimethylamino)acetamide;trihydrochloride
CID 69276295
2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155194
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 7380062
2-[2-[2-(fluoroamino)ethyl]phenoxy]ethanol
CID 145401686
2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
CID 78760776

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol (CID 2231870) is 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol is OCCOCCNCCOc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol?
The InChIKey is ITWYEZHCHMFXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-12-15-22-13-10-20-11-14-23-19-9-5-4-8-18(19)16-17-6-2-1-3-7-17/h1-9,20-21H,10-16H2.
What are the key properties of 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol?
2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol has a molecular weight of 315.41 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 2231870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).