(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine

C11H16N2O2 — CID 14425923

IUPAC(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCN(C)CCOc1ccc(/C=N/O)cc1
InChIInChI=1S/C11H16N2O2/c1-13(2)7-8-15-11-5-3-10(4-6-11)9-12-14/h3-6,9,14H,7-8H2,1-2H3/b12-9+
InChIKeyDEXZRCKPQVKBAU-FMIVXFBMSA-N
MW208.26 g/mol
LogP1.44
Rot. Bonds5

About (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 14425923) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID14425923
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCN(C)CCOc1ccc(/C=N/O)cc1
InChIInChI=1S/C11H16N2O2/c1-13(2)7-8-15-11-5-3-10(4-6-11)9-12-14/h3-6,9,14H,7-8H2,1-2H3/b12-9+
InChIKeyDEXZRCKPQVKBAU-FMIVXFBMSA-N
XLogP1.44
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.44
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'}

Analyze (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine
CID 97356315
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
CID 113360091
2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol
CID 79334057
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
CID 63968014
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
tert-butyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
CID 69301263
(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine
CID 50896716
N-[[1-[2-(dimethylamino)ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 5167663
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine (CID 14425923) is (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine is CN(C)CCOc1ccc(/C=N/O)cc1.
What is the InChIKey of (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is DEXZRCKPQVKBAU-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)7-8-15-11-5-3-10(4-6-11)9-12-14/h3-6,9,14H,7-8H2,1-2H3/b12-9+.
What are the key properties of (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 208.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 14425923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).