3-(2,2-dimethylhydrazinyl)-5-methoxyaniline

C9H15N3O — CID 83012689

IUPAC3-(2,2-dimethylhydrazinyl)-5-methoxyaniline
SMILESCOc1cc(N)cc(NN(C)C)c1
InChIInChI=1S/C9H15N3O/c1-12(2)11-8-4-7(10)5-9(6-8)13-3/h4-6,11H,10H2,1-3H3
InChIKeyHZCPYTZAGCFRMX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.17
Rot. Bonds3

About 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline

3-(2,2-dimethylhydrazinyl)-5-methoxyaniline (PubChem CID 83012689) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline.

Molecular Properties

Compound Name3-(2,2-dimethylhydrazinyl)-5-methoxyaniline
PubChem CID83012689
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(2,2-dimethylhydrazinyl)-5-methoxyaniline
SMILESCOc1cc(N)cc(NN(C)C)c1
InChIInChI=1S/C9H15N3O/c1-12(2)11-8-4-7(10)5-9(6-8)13-3/h4-6,11H,10H2,1-3H3
InChIKeyHZCPYTZAGCFRMX-UHFFFAOYSA-N
XLogP1.17
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline 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

3-N-(3,4-difluorophenyl)-5-methoxybenzene-1,3-diamine
CID 80722910
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 80723073
3-N-(4-ethylcyclohexyl)-5-methoxybenzene-1,3-diamine
CID 80745621
5-methoxy-3-N-(1-oxothian-4-yl)benzene-1,3-diamine
CID 113479702
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
3-N-(3-bromo-5-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 107581916
2-(3-amino-5-methoxyanilino)acetamide
CID 80725904
3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine
CID 114543322
3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
CID 80735790

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline?
The IUPAC name of 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline (CID 83012689) is 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline.
What is the SMILES notation for 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline?
The canonical SMILES for 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline is COc1cc(N)cc(NN(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline?
The InChIKey is HZCPYTZAGCFRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12(2)11-8-4-7(10)5-9(6-8)13-3/h4-6,11H,10H2,1-3H3.
What are the key properties of 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline?
3-(2,2-dimethylhydrazinyl)-5-methoxyaniline has a molecular weight of 181.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhydrazinyl)-5-methoxyaniline is sourced from PubChem (CID 83012689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).