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

C10H14FNO2 — CID 84775248

IUPACN-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1cc(C)c(CN(C)O)cc1F
InChIInChI=1S/C10H14FNO2/c1-7-4-10(14-3)9(11)5-8(7)6-12(2)13/h4-5,13H,6H2,1-3H3
InChIKeyUMVRKDXBYDLQNQ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.96
Rot. Bonds3

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

N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84775248) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
PubChem CID84775248
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC NameN-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1cc(C)c(CN(C)O)cc1F
InChIInChI=1S/C10H14FNO2/c1-7-4-10(14-3)9(11)5-8(7)6-12(2)13/h4-5,13H,6H2,1-3H3
InChIKeyUMVRKDXBYDLQNQ-UHFFFAOYSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
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-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84777598
N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807291
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one
CID 142193890
(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide
CID 117043406
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194766
ethyl 2-(4-fluoro-5-methoxy-2-methylphenyl)acetate
CID 171008387
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylcyanamide
CID 117043560
N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 115262117

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine (CID 84775248) is N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine is COc1cc(C)c(CN(C)O)cc1F.
What is the InChIKey of N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is UMVRKDXBYDLQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7-4-10(14-3)9(11)5-8(7)6-12(2)13/h4-5,13H,6H2,1-3H3.
What are the key properties of N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine?
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine has a molecular weight of 199.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84775248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).