4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline

C11H18FN3 — CID 105263294

IUPAC4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
SMILESCC(C)(C)C(NN)c1cc(F)ccc1N
InChIInChI=1S/C11H18FN3/c1-11(2,3)10(15-14)8-6-7(12)4-5-9(8)13/h4-6,10,15H,13-14H2,1-3H3
InChIKeyDFQIJSXSZYOUKJ-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.96
Rot. Bonds2

About 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline

4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline (PubChem CID 105263294) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
PubChem CID105263294
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
SMILESCC(C)(C)C(NN)c1cc(F)ccc1N
InChIInChI=1S/C11H18FN3/c1-11(2,3)10(15-14)8-6-7(12)4-5-9(8)13/h4-6,10,15H,13-14H2,1-3H3
InChIKeyDFQIJSXSZYOUKJ-UHFFFAOYSA-N
XLogP1.96
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-chloro-5-fluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 105397762
4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
CID 105263598
2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
CID 162344478
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
4-fluoro-2-(1-hydrazinyldecyl)aniline
CID 105263176
4-fluoro-2-(1-hydrazinylundecyl)aniline
CID 105263337
2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
CID 105263116
[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
CID 105330933
[2,2-dimethyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
CID 105203122
[1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 107541408
1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 105450766
1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine
CID 116961736

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline?
The IUPAC name of 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline (CID 105263294) is 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline.
What is the SMILES notation for 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline?
The canonical SMILES for 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline is CC(C)(C)C(NN)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline?
The InChIKey is DFQIJSXSZYOUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-11(2,3)10(15-14)8-6-7(12)4-5-9(8)13/h4-6,10,15H,13-14H2,1-3H3.
What are the key properties of 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline?
4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline has a molecular weight of 211.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline is sourced from PubChem (CID 105263294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).