N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine

C16H19NO — CID 14642527

IUPACN-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine
SMILESC[C@H](c1ccccc1)N(O)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(15-9-5-3-6-10-15)17(18)14(2)16-11-7-4-8-12-16/h3-14,18H,1-2H3/t13-,14+
InChIKeyBUFONCQFWXCXSD-OKILXGFUSA-N
MW241.33 g/mol
LogP4.20
Rot. Bonds4

About N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine

N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine (PubChem CID 14642527) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine
PubChem CID14642527
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine
SMILESC[C@H](c1ccccc1)N(O)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(15-9-5-3-6-10-15)17(18)14(2)16-11-7-4-8-12-16/h3-14,18H,1-2H3/t13-,14+
InChIKeyBUFONCQFWXCXSD-OKILXGFUSA-N
XLogP4.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.20
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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Benzalkonium
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Cetalkonium
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine?
The IUPAC name of N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine (CID 14642527) is N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine is C[C@H](c1ccccc1)N(O)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine?
The InChIKey is BUFONCQFWXCXSD-OKILXGFUSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(15-9-5-3-6-10-15)17(18)14(2)16-11-7-4-8-12-16/h3-14,18H,1-2H3/t13-,14+.
What are the key properties of N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine?
N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine has a molecular weight of 241.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine is sourced from PubChem (CID 14642527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).