N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine

C9H12ClNO — CID 117280314

IUPACN-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
SMILESCc1ccc(Cl)c(CNO)c1C
InChIInChI=1S/C9H12ClNO/c1-6-3-4-9(10)8(5-11-12)7(6)2/h3-4,11-12H,5H2,1-2H3
InChIKeyHJBVKRWXRTVWBZ-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.44
Rot. Bonds2

About N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine

N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine (PubChem CID 117280314) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
PubChem CID117280314
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC NameN-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
SMILESCc1ccc(Cl)c(CNO)c1C
InChIInChI=1S/C9H12ClNO/c1-6-3-4-9(10)8(5-11-12)7(6)2/h3-4,11-12H,5H2,1-2H3
InChIKeyHJBVKRWXRTVWBZ-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.44
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

1-(6-chloro-2,3-dimethylphenyl)-N-methylmethanamine
CID 84659371
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
CID 117288115
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 143635325
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
CID 117276872
6-chloro-2-ethyl-3-methylphenol
CID 123495023
3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117281678
N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine
CID 117366725
2-(aminomethyl)-3-chloro-6-methylphenol
CID 84766114
6-chloro-N,2,3-trimethylaniline
CID 131129366

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine (CID 117280314) is N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine is Cc1ccc(Cl)c(CNO)c1C.
What is the InChIKey of N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine?
The InChIKey is HJBVKRWXRTVWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-3-4-9(10)8(5-11-12)7(6)2/h3-4,11-12H,5H2,1-2H3.
What are the key properties of N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine?
N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine has a molecular weight of 185.65 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117280314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).