4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline

C11H19N3O — CID 115260617

IUPAC4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
SMILESCCOc1ccc(N(C)CNN)cc1C
InChIInChI=1S/C11H19N3O/c1-4-15-11-6-5-10(7-9(11)2)14(3)8-13-12/h5-7,13H,4,8,12H2,1-3H3
InChIKeyQKJSNVHJIIPACQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.25
Rot. Bonds5

About 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline

4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline (PubChem CID 115260617) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
PubChem CID115260617
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
SMILESCCOc1ccc(N(C)CNN)cc1C
InChIInChI=1S/C11H19N3O/c1-4-15-11-6-5-10(7-9(11)2)14(3)8-13-12/h5-7,13H,4,8,12H2,1-3H3
InChIKeyQKJSNVHJIIPACQ-UHFFFAOYSA-N
XLogP1.25
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115197781
1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260951
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201808
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149765
4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline
CID 115229889
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910
5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine
CID 115148194
2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117890
N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166060

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline?
The IUPAC name of 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline (CID 115260617) is 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline.
What is the SMILES notation for 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline?
The canonical SMILES for 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline is CCOc1ccc(N(C)CNN)cc1C.
What is the InChIKey of 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline?
The InChIKey is QKJSNVHJIIPACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-15-11-6-5-10(7-9(11)2)14(3)8-13-12/h5-7,13H,4,8,12H2,1-3H3.
What are the key properties of 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline?
4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline has a molecular weight of 209.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline is sourced from PubChem (CID 115260617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).