2-[(benzylamino)methoxy]ethanol

C10H15NO2 — CID 118685935

IUPAC2-[(benzylamino)methoxy]ethanol
SMILESOCCOCNCc1ccccc1
InChIInChI=1S/C10H15NO2/c12-6-7-13-9-11-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyYPAWZZOXDKIIQY-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.74
Rot. Bonds6

About 2-[(benzylamino)methoxy]ethanol

2-[(benzylamino)methoxy]ethanol (PubChem CID 118685935) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-[(benzylamino)methoxy]ethanol.

Molecular Properties

Compound Name2-[(benzylamino)methoxy]ethanol
PubChem CID118685935
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-[(benzylamino)methoxy]ethanol
SMILESOCCOCNCc1ccccc1
InChIInChI=1S/C10H15NO2/c12-6-7-13-9-11-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyYPAWZZOXDKIIQY-UHFFFAOYSA-N
XLogP0.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
1-phenyl-N-(propoxymethyl)methanamine
CID 122494011
2-[2-[(3-phenylphenyl)methylamino]ethoxy]ethanol
CID 110929290
1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 162513752
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
2-[(benzylamino)methylamino]ethanol
CID 57472463
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
2-[2-(phenylmethoxyamino)ethoxy]ethanol
CID 64974239
2-ethoxyethanol;phenylmethanol
CID 174850859
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
CID 106938875
N-benzylethanamine;tris(yttrium)
CID 158198357

Frequently Asked Questions

What is the IUPAC name of 2-[(benzylamino)methoxy]ethanol?
The IUPAC name of 2-[(benzylamino)methoxy]ethanol (CID 118685935) is 2-[(benzylamino)methoxy]ethanol.
What is the SMILES notation for 2-[(benzylamino)methoxy]ethanol?
The canonical SMILES for 2-[(benzylamino)methoxy]ethanol is OCCOCNCc1ccccc1.
What is the InChIKey of 2-[(benzylamino)methoxy]ethanol?
The InChIKey is YPAWZZOXDKIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-6-7-13-9-11-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of 2-[(benzylamino)methoxy]ethanol?
2-[(benzylamino)methoxy]ethanol has a molecular weight of 181.23 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)methoxy]ethanol is sourced from PubChem (CID 118685935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).