2-(2-amino-2-methylpropoxy)-4-fluoroaniline

C10H15FN2O — CID 117095575

IUPAC2-(2-amino-2-methylpropoxy)-4-fluoroaniline
SMILESCC(C)(N)COc1cc(F)ccc1N
InChIInChI=1S/C10H15FN2O/c1-10(2,13)6-14-9-5-7(11)3-4-8(9)12/h3-5H,6,12-13H2,1-2H3
InChIKeyYLVBDIDVTQICBC-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.52
Rot. Bonds3

About 2-(2-amino-2-methylpropoxy)-4-fluoroaniline

2-(2-amino-2-methylpropoxy)-4-fluoroaniline (PubChem CID 117095575) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropoxy)-4-fluoroaniline.

Molecular Properties

Compound Name2-(2-amino-2-methylpropoxy)-4-fluoroaniline
PubChem CID117095575
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name2-(2-amino-2-methylpropoxy)-4-fluoroaniline
SMILESCC(C)(N)COc1cc(F)ccc1N
InChIInChI=1S/C10H15FN2O/c1-10(2,13)6-14-9-5-7(11)3-4-8(9)12/h3-5H,6,12-13H2,1-2H3
InChIKeyYLVBDIDVTQICBC-UHFFFAOYSA-N
XLogP1.52
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856
2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide
CID 16772032
4-fluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62377670
4-fluoro-2-octoxyaniline
CID 43128998
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
4-[4-amino-3-(2,2-dimethylpropoxy)phenyl]-2-(2,2-dimethylpropoxy)aniline
CID 139768522
4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
CID 65431768
2-(4-tert-butyl-2-methylphenoxy)-4-fluoroaniline
CID 63457104
2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
CID 58413286

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropoxy)-4-fluoroaniline?
The IUPAC name of 2-(2-amino-2-methylpropoxy)-4-fluoroaniline (CID 117095575) is 2-(2-amino-2-methylpropoxy)-4-fluoroaniline.
What is the SMILES notation for 2-(2-amino-2-methylpropoxy)-4-fluoroaniline?
The canonical SMILES for 2-(2-amino-2-methylpropoxy)-4-fluoroaniline is CC(C)(N)COc1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-2-methylpropoxy)-4-fluoroaniline?
The InChIKey is YLVBDIDVTQICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-10(2,13)6-14-9-5-7(11)3-4-8(9)12/h3-5H,6,12-13H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylpropoxy)-4-fluoroaniline?
2-(2-amino-2-methylpropoxy)-4-fluoroaniline has a molecular weight of 198.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropoxy)-4-fluoroaniline is sourced from PubChem (CID 117095575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).