2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide

C12H17FN2O2 — CID 16772032

IUPAC2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1cc(F)ccc1N
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)15-11(16)7-17-10-6-8(13)4-5-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyZGMZUXQGWOVQBH-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.70
Rot. Bonds3

About 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide

2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide (PubChem CID 16772032) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide
PubChem CID16772032
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1cc(F)ccc1N
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)15-11(16)7-17-10-6-8(13)4-5-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyZGMZUXQGWOVQBH-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.70
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-2-methylpropoxy)-4-fluoroaniline
CID 117095575
2-(2-amino-5-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79148601
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980
4-amino-2-[2-(tert-butylamino)-2-oxoethoxy]benzoic acid
CID 106954735
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63066536
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
CID 81186168
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide
CID 62018129
3-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672095

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide?
The IUPAC name of 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide (CID 16772032) is 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide is CC(C)(C)NC(=O)COc1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide?
The InChIKey is ZGMZUXQGWOVQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,3)15-11(16)7-17-10-6-8(13)4-5-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide?
2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide has a molecular weight of 240.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide is sourced from PubChem (CID 16772032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).