2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine

C12H21N3O — CID 115261268

IUPAC2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
SMILESCCOc1ccc(CCN(C)CNN)cc1
InChIInChI=1S/C12H21N3O/c1-3-16-12-6-4-11(5-7-12)8-9-15(2)10-14-13/h4-7,14H,3,8-10,13H2,1-2H3
InChIKeyFWNQBCFPUDMGPM-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine

2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine (PubChem CID 115261268) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
PubChem CID115261268
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
SMILESCCOc1ccc(CCN(C)CNN)cc1
InChIInChI=1S/C12H21N3O/c1-3-16-12-6-4-11(5-7-12)8-9-15(2)10-14-13/h4-7,14H,3,8-10,13H2,1-2H3
InChIKeyFWNQBCFPUDMGPM-UHFFFAOYSA-N
XLogP0.98
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine 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

N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120101
1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222522
[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
CID 115243738
2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129696
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
CID 115154407
N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115259585
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261243
N-[4-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]phenyl]methanesulfinamide
CID 142074181
2-(4-ethoxyphenoxy)ethylhydrazine
CID 94680175
2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261315
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine (CID 115261268) is 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine is CCOc1ccc(CCN(C)CNN)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
The InChIKey is FWNQBCFPUDMGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-16-12-6-4-11(5-7-12)8-9-15(2)10-14-13/h4-7,14H,3,8-10,13H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine has a molecular weight of 223.32 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine is sourced from PubChem (CID 115261268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).