N-benzhydryl-N-tert-butylhydroxylamine

C17H21NO — CID 14921781

IUPACN-benzhydryl-N-tert-butylhydroxylamine
SMILESCC(C)(C)N(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-17(2,3)18(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,19H,1-3H3
InChIKeyWRBRJOAXWGYNLN-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.27
Rot. Bonds3

About N-benzhydryl-N-tert-butylhydroxylamine

N-benzhydryl-N-tert-butylhydroxylamine (PubChem CID 14921781) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-benzhydryl-N-tert-butylhydroxylamine.

Molecular Properties

Compound NameN-benzhydryl-N-tert-butylhydroxylamine
PubChem CID14921781
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-benzhydryl-N-tert-butylhydroxylamine
SMILESCC(C)(C)N(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-17(2,3)18(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,19H,1-3H3
InChIKeyWRBRJOAXWGYNLN-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-tert-butylhydroxylamine?
The IUPAC name of N-benzhydryl-N-tert-butylhydroxylamine (CID 14921781) is N-benzhydryl-N-tert-butylhydroxylamine.
What is the SMILES notation for N-benzhydryl-N-tert-butylhydroxylamine?
The canonical SMILES for N-benzhydryl-N-tert-butylhydroxylamine is CC(C)(C)N(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-tert-butylhydroxylamine?
The InChIKey is WRBRJOAXWGYNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,3)18(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,19H,1-3H3.
What are the key properties of N-benzhydryl-N-tert-butylhydroxylamine?
N-benzhydryl-N-tert-butylhydroxylamine has a molecular weight of 255.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-tert-butylhydroxylamine is sourced from PubChem (CID 14921781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).