(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine

C13H20N2O3 — CID 24711373

IUPAC(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N/O)ccc1OCCN(C)C
InChIInChI=1S/C13H20N2O3/c1-10(14-16)11-5-6-12(13(9-11)17-4)18-8-7-15(2)3/h5-6,9,16H,7-8H2,1-4H3/b14-10+
InChIKeyLUXLBIUJJKGPSD-GXDHUFHOSA-N
MW252.31 g/mol
LogP1.83
Rot. Bonds6

About (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine (PubChem CID 24711373) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
PubChem CID24711373
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N/O)ccc1OCCN(C)C
InChIInChI=1S/C13H20N2O3/c1-10(14-16)11-5-6-12(13(9-11)17-4)18-8-7-15(2)3/h5-6,9,16H,7-8H2,1-4H3/b14-10+
InChIKeyLUXLBIUJJKGPSD-GXDHUFHOSA-N
XLogP1.83
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
CID 24704343
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
CID 43330180
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide
CID 76917538
(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine
CID 109374373
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355478
(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
CID 24701950
3-[2-(dimethylamino)ethoxy]-4-methoxybenzenecarbothioamide
CID 22685297
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol
CID 82077815

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine (CID 24711373) is (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine is COc1cc(/C(C)=N/O)ccc1OCCN(C)C.
What is the InChIKey of (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine?
The InChIKey is LUXLBIUJJKGPSD-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(14-16)11-5-6-12(13(9-11)17-4)18-8-7-15(2)3/h5-6,9,16H,7-8H2,1-4H3/b14-10+.
What are the key properties of (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine has a molecular weight of 252.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 24711373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).