O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine

C9H13NO2 — CID 117276532

IUPACO-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CON)c(C)c1
InChIInChI=1S/C9H13NO2/c1-7-5-9(11-2)4-3-8(7)6-12-10/h3-5H,6,10H2,1-2H3
InChIKeyXNTSGXZWFVEUGZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.39
Rot. Bonds3

About O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine

O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine (PubChem CID 117276532) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
PubChem CID117276532
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameO-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CON)c(C)c1
InChIInChI=1S/C9H13NO2/c1-7-5-9(11-2)4-3-8(7)6-12-10/h3-5H,6,10H2,1-2H3
InChIKeyXNTSGXZWFVEUGZ-UHFFFAOYSA-N
XLogP1.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.39
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

ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine
CID 83698395
O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 20595379
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane
CID 88833819
1-(isocyanomethyl)-4-methoxy-2-methylbenzene
CID 83480247
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
1-(methoxymethyl)-4-(4-methoxyphenyl)-2-methylbenzene
CID 91108863

Frequently Asked Questions

What is the IUPAC name of O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine (CID 117276532) is O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine is COc1ccc(CON)c(C)c1.
What is the InChIKey of O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine?
The InChIKey is XNTSGXZWFVEUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-5-9(11-2)4-3-8(7)6-12-10/h3-5H,6,10H2,1-2H3.
What are the key properties of O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine?
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117276532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).