3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide

C12H17FN2O2 — CID 112615263

IUPAC3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
SMILESCC(COc1c(F)cccc1CCN)C(N)=O
InChIInChI=1S/C12H17FN2O2/c1-8(12(15)16)7-17-11-9(5-6-14)3-2-4-10(11)13/h2-4,8H,5-7,14H2,1H3,(H2,15,16)
InChIKeyALSQUGGGIPSSFW-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.83
Rot. Bonds6

About 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide

3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide (PubChem CID 112615263) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
PubChem CID112615263
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
SMILESCC(COc1c(F)cccc1CCN)C(N)=O
InChIInChI=1S/C12H17FN2O2/c1-8(12(15)16)7-17-11-9(5-6-14)3-2-4-10(11)13/h2-4,8H,5-7,14H2,1H3,(H2,15,16)
InChIKeyALSQUGGGIPSSFW-UHFFFAOYSA-N
XLogP0.83
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114
propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate
CID 112615221
(E)-3-[2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorophenyl]prop-2-enoic acid
CID 112614246
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
CID 54930692
3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79886481
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
CID 112615431
3-(2-carbamothioyl-3-fluorophenoxy)-2-methylpropanamide
CID 43609488
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide (CID 112615263) is 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide is CC(COc1c(F)cccc1CCN)C(N)=O.
What is the InChIKey of 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide?
The InChIKey is ALSQUGGGIPSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(12(15)16)7-17-11-9(5-6-14)3-2-4-10(11)13/h2-4,8H,5-7,14H2,1H3,(H2,15,16).
What are the key properties of 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide?
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide is sourced from PubChem (CID 112615263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).