4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline

C11H19N3O — CID 83012844

IUPAC4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(NN(C)C)ccc1N
InChIInChI=1S/C11H19N3O/c1-8(2)15-11-7-9(13-14(3)4)5-6-10(11)12/h5-8,13H,12H2,1-4H3
InChIKeyPHZSFUFXLSXQAN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.94
Rot. Bonds4

About 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline

4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline (PubChem CID 83012844) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
PubChem CID83012844
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(NN(C)C)ccc1N
InChIInChI=1S/C11H19N3O/c1-8(2)15-11-7-9(13-14(3)4)5-6-10(11)12/h5-8,13H,12H2,1-4H3
InChIKeyPHZSFUFXLSXQAN-UHFFFAOYSA-N
XLogP1.94
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.94
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'}

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Related Compounds

4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
4-N-hexan-2-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002251
4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002172
4-N-(3-fluoro-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83004506
4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005307
4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002161
4-amino-3-propan-2-yloxyphenol
CID 69025591
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 106022537
2-propan-2-yloxy-4-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 83002196
3-(4-amino-3-propan-2-yloxyanilino)-2-methylpropane-1,2-diol
CID 83002120

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline (CID 83012844) is 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline is CC(C)Oc1cc(NN(C)C)ccc1N.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline?
The InChIKey is PHZSFUFXLSXQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)15-11-7-9(13-14(3)4)5-6-10(11)12/h5-8,13H,12H2,1-4H3.
What are the key properties of 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline?
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline has a molecular weight of 209.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83012844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).