2-(benzylamino)oxyethanamine

C9H14N2O — CID 46183846

IUPAC2-(benzylamino)oxyethanamine
SMILESNCCONCc1ccccc1
InChIInChI=1S/C9H14N2O/c10-6-7-12-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2
InChIKeyONPUZSMJEFGLRE-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.67
Rot. Bonds5

About 2-(benzylamino)oxyethanamine

2-(benzylamino)oxyethanamine (PubChem CID 46183846) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(benzylamino)oxyethanamine.

Molecular Properties

Compound Name2-(benzylamino)oxyethanamine
PubChem CID46183846
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(benzylamino)oxyethanamine
SMILESNCCONCc1ccccc1
InChIInChI=1S/C9H14N2O/c10-6-7-12-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2
InChIKeyONPUZSMJEFGLRE-UHFFFAOYSA-N
XLogP0.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)oxyethanamine;dihydrochloride
CID 46183845
1-phenyl-N-(3-phenylpropoxy)methanamine
CID 154375568
N-(methoxymethoxy)-1-phenylmethanamine
CID 54396406
ethane;2-phenylmethoxyethanamine
CID 142016503
1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
CID 107654533
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
N-[(E)-but-2-enoxy]-1-phenylmethanamine
CID 100914451
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
N-ethoxy-1-phenylmethanamine;methyl hydrogen sulfate
CID 175484798
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
2-(2-aminoethoxyamino)-3-phenylpropanoic acid
CID 174702432

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)oxyethanamine?
The IUPAC name of 2-(benzylamino)oxyethanamine (CID 46183846) is 2-(benzylamino)oxyethanamine.
What is the SMILES notation for 2-(benzylamino)oxyethanamine?
The canonical SMILES for 2-(benzylamino)oxyethanamine is NCCONCc1ccccc1.
What is the InChIKey of 2-(benzylamino)oxyethanamine?
The InChIKey is ONPUZSMJEFGLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-6-7-12-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2.
What are the key properties of 2-(benzylamino)oxyethanamine?
2-(benzylamino)oxyethanamine has a molecular weight of 166.22 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)oxyethanamine is sourced from PubChem (CID 46183846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).