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

C12H18N2O2 — CID 24701950

IUPAC(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-10(13-15)11-5-4-6-12(9-11)16-8-7-14(2)3/h4-6,9,15H,7-8H2,1-3H3/b13-10+
InChIKeyKDOBTVKKPRSXLC-JLHYYAGUSA-N
MW222.29 g/mol
LogP1.83
Rot. Bonds5

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

(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 24701950) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
PubChem CID24701950
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-10(13-15)11-5-4-6-12(9-11)16-8-7-14(2)3/h4-6,9,15H,7-8H2,1-3H3/b13-10+
InChIKeyKDOBTVKKPRSXLC-JLHYYAGUSA-N
XLogP1.83
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457228
N-[1-(3-decoxyphenyl)ethylidene]hydroxylamine
CID 76999592
N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 76999633
4-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]butanenitrile
CID 24704400
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 77069669
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine (CID 24701950) is (NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1cccc(OCCN(C)C)c1.
What is the InChIKey of (NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is KDOBTVKKPRSXLC-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(13-15)11-5-4-6-12(9-11)16-8-7-14(2)3/h4-6,9,15H,7-8H2,1-3H3/b13-10+.
What are the key properties of (NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 222.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 24701950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).