O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine

C12H19NO — CID 117284110

IUPACO-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
SMILESCCc1ccc(CCON)cc1CC
InChIInChI=1S/C12H19NO/c1-3-11-6-5-10(7-8-14-13)9-12(11)4-2/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyLOPSEMOFLSADCH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds5

About O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine

O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine (PubChem CID 117284110) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
PubChem CID117284110
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameO-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
SMILESCCc1ccc(CCON)cc1CC
InChIInChI=1S/C12H19NO/c1-3-11-6-5-10(7-8-14-13)9-12(11)4-2/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyLOPSEMOFLSADCH-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethyl-4-propylbenzene
CID 54363919
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292
2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
CID 57139112
N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 115483390
1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene
CID 139601632
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
CID 117303184
2-(2,5-diethylphenyl)ethanamine
CID 117277667
2-(3,4-diethylphenyl)ethyl 4-(4-ethylcyclohexyl)benzoate
CID 158546395
O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117330881

Frequently Asked Questions

What is the IUPAC name of O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine (CID 117284110) is O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine is CCc1ccc(CCON)cc1CC.
What is the InChIKey of O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine?
The InChIKey is LOPSEMOFLSADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-11-6-5-10(7-8-14-13)9-12(11)4-2/h5-6,9H,3-4,7-8,13H2,1-2H3.
What are the key properties of O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine?
O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine has a molecular weight of 193.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117284110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).