N,N-bis[(4-chlorophenyl)methyl]hydroxylamine

C14H13Cl2NO — CID 521014

IUPACN,N-bis[(4-chlorophenyl)methyl]hydroxylamine
SMILESON(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-13-5-1-11(2-6-13)9-17(18)10-12-3-7-14(16)8-4-12/h1-8,18H,9-10H2
InChIKeyLJISSWQMTWDSGS-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.38
Rot. Bonds4

About N,N-bis[(4-chlorophenyl)methyl]hydroxylamine

N,N-bis[(4-chlorophenyl)methyl]hydroxylamine (PubChem CID 521014) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is N,N-bis[(4-chlorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN,N-bis[(4-chlorophenyl)methyl]hydroxylamine
PubChem CID521014
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC NameN,N-bis[(4-chlorophenyl)methyl]hydroxylamine
SMILESON(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-13-5-1-11(2-6-13)9-17(18)10-12-3-7-14(16)8-4-12/h1-8,18H,9-10H2
InChIKeyLJISSWQMTWDSGS-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.38
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,N-bis[(4-chlorophenyl)methyl]hydroxylamine?
The IUPAC name of N,N-bis[(4-chlorophenyl)methyl]hydroxylamine (CID 521014) is N,N-bis[(4-chlorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N,N-bis[(4-chlorophenyl)methyl]hydroxylamine?
The canonical SMILES for N,N-bis[(4-chlorophenyl)methyl]hydroxylamine is ON(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of N,N-bis[(4-chlorophenyl)methyl]hydroxylamine?
The InChIKey is LJISSWQMTWDSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-13-5-1-11(2-6-13)9-17(18)10-12-3-7-14(16)8-4-12/h1-8,18H,9-10H2.
What are the key properties of N,N-bis[(4-chlorophenyl)methyl]hydroxylamine?
N,N-bis[(4-chlorophenyl)methyl]hydroxylamine has a molecular weight of 282.17 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-chlorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 521014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).