O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine

C11H17NO2 — CID 117285502

IUPACO-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine
SMILESCCOc1c(CON)ccc(C)c1C
InChIInChI=1S/C11H17NO2/c1-4-13-11-9(3)8(2)5-6-10(11)7-14-12/h5-6H,4,7,12H2,1-3H3
InChIKeyYKDWFTXUZFTXNU-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.09
Rot. Bonds4

About O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine

O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine (PubChem CID 117285502) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine
PubChem CID117285502
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameO-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine
SMILESCCOc1c(CON)ccc(C)c1C
InChIInChI=1S/C11H17NO2/c1-4-13-11-9(3)8(2)5-6-10(11)7-14-12/h5-6H,4,7,12H2,1-3H3
InChIKeyYKDWFTXUZFTXNU-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.09
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

1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine
CID 117374509
3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene
CID 20690288
(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
CID 117294018
O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine
CID 83698395
O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine
CID 117343414
O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117326901
O-[(7-methyl-1,3-benzodioxol-4-yl)methyl]hydroxylamine
CID 117278597
O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39377445
[3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 97179311
O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117331835
O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 20595379

Frequently Asked Questions

What is the IUPAC name of O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine (CID 117285502) is O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine is CCOc1c(CON)ccc(C)c1C.
What is the InChIKey of O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine?
The InChIKey is YKDWFTXUZFTXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-13-11-9(3)8(2)5-6-10(11)7-14-12/h5-6H,4,7,12H2,1-3H3.
What are the key properties of O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine?
O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine has a molecular weight of 195.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117285502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).