N-[(3,5-dichlorophenyl)methyl]hydroxylamine

C7H7Cl2NO — CID 75481736

IUPACN-[(3,5-dichlorophenyl)methyl]hydroxylamine
SMILESONCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H7Cl2NO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3,10-11H,4H2
InChIKeyNRKHQMHSQJUFKQ-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.47
Rot. Bonds2

About N-[(3,5-dichlorophenyl)methyl]hydroxylamine

N-[(3,5-dichlorophenyl)methyl]hydroxylamine (PubChem CID 75481736) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]hydroxylamine
PubChem CID75481736
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC NameN-[(3,5-dichlorophenyl)methyl]hydroxylamine
SMILESONCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H7Cl2NO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3,10-11H,4H2
InChIKeyNRKHQMHSQJUFKQ-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
(3,5-dichlorophenyl)methylthiourea;hydrochloride
CID 23079401
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
CID 104868163
N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine
CID 117389561
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491
N-[(3,5-dichlorophenyl)methyl]pentan-3-amine
CID 60788781
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
N-[(3,5-dichlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61037564
2-[(3,5-dichlorophenyl)methylamino]oxyacetamide
CID 112672702

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]hydroxylamine (CID 75481736) is N-[(3,5-dichlorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]hydroxylamine is ONCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]hydroxylamine?
The InChIKey is NRKHQMHSQJUFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3,10-11H,4H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]hydroxylamine?
N-[(3,5-dichlorophenyl)methyl]hydroxylamine has a molecular weight of 192.04 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 75481736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).