N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine

C9H12ClNO2 — CID 143635325

IUPACN-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(CNO)ccc(Cl)c1C
InChIInChI=1S/C9H12ClNO2/c1-6-8(10)4-3-7(5-11-12)9(6)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyFEGGFICECWZKCJ-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.14
Rot. Bonds3

About N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine

N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine (PubChem CID 143635325) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
PubChem CID143635325
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC NameN-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(CNO)ccc(Cl)c1C
InChIInChI=1S/C9H12ClNO2/c1-6-8(10)4-3-7(5-11-12)9(6)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyFEGGFICECWZKCJ-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
4-chloro-2-methoxy-3-methylphenol
CID 124706065
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol
CID 117310285
3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117281678
6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde
CID 117366491
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117280314
N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84787177
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117290406

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine (CID 143635325) is N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine is COc1c(CNO)ccc(Cl)c1C.
What is the InChIKey of N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
The InChIKey is FEGGFICECWZKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-6-8(10)4-3-7(5-11-12)9(6)13-2/h3-4,11-12H,5H2,1-2H3.
What are the key properties of N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine has a molecular weight of 201.65 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 143635325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).