ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine

C12H21NO2 — CID 154695651

IUPACethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
SMILESCC.COc1c(C)cc(CON)cc1C
InChIInChI=1S/C10H15NO2.C2H6/c1-7-4-9(6-13-11)5-8(2)10(7)12-3;1-2/h4-5H,6,11H2,1-3H3;1-2H3
InChIKeyIUASWVMIZNUAKK-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.73
Rot. Bonds3

About ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine

ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine (PubChem CID 154695651) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound Nameethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
PubChem CID154695651
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
SMILESCC.COc1c(C)cc(CON)cc1C
InChIInChI=1S/C10H15NO2.C2H6/c1-7-4-9(6-13-11)5-8(2)10(7)12-3;1-2/h4-5H,6,11H2,1-3H3;1-2H3
InChIKeyIUASWVMIZNUAKK-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.73
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

O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117280138
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
(4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate
CID 83823720
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488
magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide
CID 51346710
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
4-methoxy-3,5-dimethylphenol
CID 643378
4-(aminooxymethyl)-2-chloro-6-methylphenol
CID 117280928
2-(4-methoxy-3,5-dimethylphenyl)acetonitrile
CID 45091198
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327

Frequently Asked Questions

What is the IUPAC name of ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine?
The IUPAC name of ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine (CID 154695651) is ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine?
The canonical SMILES for ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine is CC.COc1c(C)cc(CON)cc1C.
What is the InChIKey of ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine?
The InChIKey is IUASWVMIZNUAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-7-4-9(6-13-11)5-8(2)10(7)12-3;1-2/h4-5H,6,11H2,1-3H3;1-2H3.
What are the key properties of ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine?
ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine has a molecular weight of 211.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 154695651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).