O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine

C21H30N2O — CID 54232305

IUPACO-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine
SMILESCCc1cc(C(N)(ON)c2ccccc2)c(CC)c(CC)c1CC
InChIInChI=1S/C21H30N2O/c1-5-15-14-20(19(8-4)18(7-3)17(15)6-2)21(22,24-23)16-12-10-9-11-13-16/h9-14H,5-8,22-23H2,1-4H3
InChIKeyQKDAZRQPHNKGJD-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.99
Rot. Bonds7

About O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine

O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine (PubChem CID 54232305) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine
PubChem CID54232305
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameO-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine
SMILESCCc1cc(C(N)(ON)c2ccccc2)c(CC)c(CC)c1CC
InChIInChI=1S/C21H30N2O/c1-5-15-14-20(19(8-4)18(7-3)17(15)6-2)21(22,24-23)16-12-10-9-11-13-16/h9-14H,5-8,22-23H2,1-4H3
InChIKeyQKDAZRQPHNKGJD-UHFFFAOYSA-N
XLogP3.99
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine (CID 54232305) is O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine is CCc1cc(C(N)(ON)c2ccccc2)c(CC)c(CC)c1CC.
What is the InChIKey of O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine?
The InChIKey is QKDAZRQPHNKGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-5-15-14-20(19(8-4)18(7-3)17(15)6-2)21(22,24-23)16-12-10-9-11-13-16/h9-14H,5-8,22-23H2,1-4H3.
What are the key properties of O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine?
O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine has a molecular weight of 326.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 54232305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).