N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine

C9H11ClFNO — CID 84777598

IUPACN-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
SMILESCc1cc(Cl)c(F)cc1CN(C)O
InChIInChI=1S/C9H11ClFNO/c1-6-3-8(10)9(11)4-7(6)5-12(2)13/h3-4,13H,5H2,1-2H3
InChIKeyBQXIBJRGWCTXJJ-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.61
Rot. Bonds2

About N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine

N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84777598) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
PubChem CID84777598
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC NameN-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
SMILESCc1cc(Cl)c(F)cc1CN(C)O
InChIInChI=1S/C9H11ClFNO/c1-6-3-8(10)9(11)4-7(6)5-12(2)13/h3-4,13H,5H2,1-2H3
InChIKeyBQXIBJRGWCTXJJ-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.61
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

2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol
CID 84769622
1-chloro-2-fluoro-4-(fluoromethyl)-5-methylbenzene
CID 130952745
1-chloro-4-(chloromethyl)-2-fluoro-5-methylbenzene
CID 131117181
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene
CID 130777933
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311
methyl (2S)-2-[(4-chloro-5-fluoro-2-methylphenyl)methyl-methylamino]propanoate
CID 90393866
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133504
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
N-(bromomethyl)-1-(2-chloro-5-fluoro-4-methylphenyl)-N-methylmethanamine
CID 115262157
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine (CID 84777598) is N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine is Cc1cc(Cl)c(F)cc1CN(C)O.
What is the InChIKey of N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is BQXIBJRGWCTXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-6-3-8(10)9(11)4-7(6)5-12(2)13/h3-4,13H,5H2,1-2H3.
What are the key properties of N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine?
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine has a molecular weight of 203.64 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84777598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).