N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine

C13H19NO3 — CID 77003544

IUPACN-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
SMILESCCOCCOc1cc(C)ccc1C(C)=NO
InChIInChI=1S/C13H19NO3/c1-4-16-7-8-17-13-9-10(2)5-6-12(13)11(3)14-15/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeySEFCIWSHZXPERI-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.61
Rot. Bonds6

About N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine

N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine (PubChem CID 77003544) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
PubChem CID77003544
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
SMILESCCOCCOc1cc(C)ccc1C(C)=NO
InChIInChI=1S/C13H19NO3/c1-4-16-7-8-17-13-9-10(2)5-6-12(13)11(3)14-15/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeySEFCIWSHZXPERI-UHFFFAOYSA-N
XLogP2.61
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(NE)-N-[1-[2-(3-ethylsulfanylpropoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 113473665
5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
CID 77003699
3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
CID 77003549
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725537
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 77003482
2-(3-ethoxypropoxy)-4-methylbenzoic acid
CID 65176172
N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003503
(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 103003106
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-N-propan-2-ylacetamide
CID 55245922
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine (CID 77003544) is N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine is CCOCCOc1cc(C)ccc1C(C)=NO.
What is the InChIKey of N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is SEFCIWSHZXPERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-16-7-8-17-13-9-10(2)5-6-12(13)11(3)14-15/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine?
N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine has a molecular weight of 237.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77003544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).