O-[(3,4-dichlorophenyl)methyl]hydroxylamine

C7H7Cl2NO — CID 2764016

IUPACO-[(3,4-dichlorophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2NO/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,10H2
InChIKeyOVMBDDNTFJQHST-UHFFFAOYSA-N
MW192.05 g/mol
LogP2.38
Rot. Bonds2

About O-[(3,4-dichlorophenyl)methyl]hydroxylamine

O-[(3,4-dichlorophenyl)methyl]hydroxylamine (PubChem CID 2764016) has the molecular formula C7H7Cl2NO and a molecular weight of 192.05 g/mol. Its IUPAC name is O-[(3,4-dichlorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3,4-dichlorophenyl)methyl]hydroxylamine
PubChem CID2764016
Molecular FormulaC7H7Cl2NO
Molecular Weight192.05 g/mol
Exact Mass190.99
IUPAC NameO-[(3,4-dichlorophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2NO/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,10H2
InChIKeyOVMBDDNTFJQHST-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 52.38
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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Related Compounds

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O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine
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O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride
CID 163543876
N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine
CID 162352829
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
CID 13380966
1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
CID 64535799
(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
CID 95964233
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
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3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176

Frequently Asked Questions

What is the IUPAC name of O-[(3,4-dichlorophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3,4-dichlorophenyl)methyl]hydroxylamine (CID 2764016) is O-[(3,4-dichlorophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3,4-dichlorophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3,4-dichlorophenyl)methyl]hydroxylamine is NOCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of O-[(3,4-dichlorophenyl)methyl]hydroxylamine?
The InChIKey is OVMBDDNTFJQHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,10H2.
What are the key properties of O-[(3,4-dichlorophenyl)methyl]hydroxylamine?
O-[(3,4-dichlorophenyl)methyl]hydroxylamine has a molecular weight of 192.05 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3,4-dichlorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 2764016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).