N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine

C10H13NO2 — CID 74880473

IUPACN-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(C)cc1C(C)=NO
InChIInChI=1S/C10H13NO2/c1-7-4-5-10(13-3)9(6-7)8(2)11-12/h4-6,12H,1-3H3
InChIKeyUAUXZLBYGWFHAR-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.20
Rot. Bonds2

About N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine

N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine (PubChem CID 74880473) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
PubChem CID74880473
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(C)cc1C(C)=NO
InChIInChI=1S/C10H13NO2/c1-7-4-5-10(13-3)9(6-7)8(2)11-12/h4-6,12H,1-3H3
InChIKeyUAUXZLBYGWFHAR-UHFFFAOYSA-N
XLogP2.20
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
N-[1-[2-(1-methoxypropan-2-yloxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77020729
(NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine
CID 82927238
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776
N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
CID 77052870
(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 83157735
N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
CID 77013728
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77055461
(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 43504951

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine (CID 74880473) is N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine is COc1ccc(C)cc1C(C)=NO.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is UAUXZLBYGWFHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-5-10(13-3)9(6-7)8(2)11-12/h4-6,12H,1-3H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine?
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 74880473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).