4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide

C14H21FN2O2 — CID 80542832

IUPAC4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-11(7-8-16)14(18)17(2)9-10-19-13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyJRICLEYAAWXQLY-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.65
Rot. Bonds7

About 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide

4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide (PubChem CID 80542832) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
PubChem CID80542832
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-11(7-8-16)14(18)17(2)9-10-19-13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyJRICLEYAAWXQLY-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide (CID 80542832) is 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide is CC(CCN)C(=O)N(C)CCOc1ccccc1F.
What is the InChIKey of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide?
The InChIKey is JRICLEYAAWXQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-11(7-8-16)14(18)17(2)9-10-19-13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide?
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide has a molecular weight of 268.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 80542832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).