N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine

C13H22N2O — CID 56987642

IUPACN-[2-(1-phenylethylamino)oxyethyl]propan-2-amine
SMILESCC(C)NCCONC(C)c1ccccc1
InChIInChI=1S/C13H22N2O/c1-11(2)14-9-10-16-15-12(3)13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3
InChIKeyZWZHIEBEMBKNSL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine

N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine (PubChem CID 56987642) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1-phenylethylamino)oxyethyl]propan-2-amine
PubChem CID56987642
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[2-(1-phenylethylamino)oxyethyl]propan-2-amine
SMILESCC(C)NCCONC(C)c1ccccc1
InChIInChI=1S/C13H22N2O/c1-11(2)14-9-10-16-15-12(3)13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3
InChIKeyZWZHIEBEMBKNSL-UHFFFAOYSA-N
XLogP2.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine?
The IUPAC name of N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine (CID 56987642) is N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine is CC(C)NCCONC(C)c1ccccc1.
What is the InChIKey of N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine?
The InChIKey is ZWZHIEBEMBKNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)14-9-10-16-15-12(3)13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3.
What are the key properties of N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine?
N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylethylamino)oxyethyl]propan-2-amine is sourced from PubChem (CID 56987642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).