N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine

C10H13F2NO2 — CID 117308984

IUPACN-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine
SMILESCOc1c(CNO)cc(C)cc1C(F)F
InChIInChI=1S/C10H13F2NO2/c1-6-3-7(5-13-14)9(15-2)8(4-6)10(11)12/h3-4,10,13-14H,5H2,1-2H3
InChIKeySHZNTZXSRPBHRP-UHFFFAOYSA-N
MW217.21 g/mol
LogP2.42
Rot. Bonds4

About N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine

N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine (PubChem CID 117308984) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine
PubChem CID117308984
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC NameN-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine
SMILESCOc1c(CNO)cc(C)cc1C(F)F
InChIInChI=1S/C10H13F2NO2/c1-6-3-7(5-13-14)9(15-2)8(4-6)10(11)12/h3-4,10,13-14H,5H2,1-2H3
InChIKeySHZNTZXSRPBHRP-UHFFFAOYSA-N
XLogP2.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 52.42
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-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337441
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
CID 117429093
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
CID 84681000
2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol
CID 84705086
N-[[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]methyl]hydroxylamine
CID 117291324
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine
CID 117347740
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine (CID 117308984) is N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine is COc1c(CNO)cc(C)cc1C(F)F.
What is the InChIKey of N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine?
The InChIKey is SHZNTZXSRPBHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-6-3-7(5-13-14)9(15-2)8(4-6)10(11)12/h3-4,10,13-14H,5H2,1-2H3.
What are the key properties of N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine?
N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine has a molecular weight of 217.21 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117308984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).