2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine

C18H24N2O2 — CID 174904451

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine
SMILESCCN(NCCc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C18H24N2O2/c1-4-20(16-8-6-5-7-9-16)19-13-12-15-10-11-17(21-2)18(14-15)22-3/h5-11,14,19H,4,12-13H2,1-3H3
InChIKeyBUMITSDGKLJQLP-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.28
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine (PubChem CID 174904451) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine
PubChem CID174904451
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine
SMILESCCN(NCCc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C18H24N2O2/c1-4-20(16-8-6-5-7-9-16)19-13-12-15-10-11-17(21-2)18(14-15)22-3/h5-11,14,19H,4,12-13H2,1-3H3
InChIKeyBUMITSDGKLJQLP-UHFFFAOYSA-N
XLogP3.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine (CID 174904451) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine is CCN(NCCc1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine?
The InChIKey is BUMITSDGKLJQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-20(16-8-6-5-7-9-16)19-13-12-15-10-11-17(21-2)18(14-15)22-3/h5-11,14,19H,4,12-13H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine?
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine has a molecular weight of 300.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1-phenylhydrazine is sourced from PubChem (CID 174904451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).