2-(benzylamino)oxyethanamine;dihydrochloride

C9H16Cl2N2O — CID 46183845

IUPAC2-(benzylamino)oxyethanamine;dihydrochloride
SMILESCl.Cl.NCCONCc1ccccc1
InChIInChI=1S/C9H14N2O.2ClH/c10-6-7-12-11-8-9-4-2-1-3-5-9;;/h1-5,11H,6-8,10H2;2*1H
InChIKeyNOUYBSDKFZCVPB-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.51
Rot. Bonds5

About 2-(benzylamino)oxyethanamine;dihydrochloride

2-(benzylamino)oxyethanamine;dihydrochloride (PubChem CID 46183845) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 2-(benzylamino)oxyethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(benzylamino)oxyethanamine;dihydrochloride
PubChem CID46183845
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name2-(benzylamino)oxyethanamine;dihydrochloride
SMILESCl.Cl.NCCONCc1ccccc1
InChIInChI=1S/C9H14N2O.2ClH/c10-6-7-12-11-8-9-4-2-1-3-5-9;;/h1-5,11H,6-8,10H2;2*1H
InChIKeyNOUYBSDKFZCVPB-UHFFFAOYSA-N
XLogP1.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.51
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
CID 46183846
1-phenyl-N-(3-phenylpropoxy)methanamine
CID 154375568
N-(methoxymethoxy)-1-phenylmethanamine
CID 54396406
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
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
2-(2-aminoethoxyamino)-3-phenylpropanoic acid
CID 174702432

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)oxyethanamine;dihydrochloride?
The IUPAC name of 2-(benzylamino)oxyethanamine;dihydrochloride (CID 46183845) is 2-(benzylamino)oxyethanamine;dihydrochloride.
What is the SMILES notation for 2-(benzylamino)oxyethanamine;dihydrochloride?
The canonical SMILES for 2-(benzylamino)oxyethanamine;dihydrochloride is Cl.Cl.NCCONCc1ccccc1.
What is the InChIKey of 2-(benzylamino)oxyethanamine;dihydrochloride?
The InChIKey is NOUYBSDKFZCVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c10-6-7-12-11-8-9-4-2-1-3-5-9;;/h1-5,11H,6-8,10H2;2*1H.
What are the key properties of 2-(benzylamino)oxyethanamine;dihydrochloride?
2-(benzylamino)oxyethanamine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)oxyethanamine;dihydrochloride is sourced from PubChem (CID 46183845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).