2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide

C15H23FN2O2 — CID 115958626

IUPAC2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(N)Cc1cccc(F)c1OCC(=O)N(C)C(C)C
InChIInChI=1S/C15H23FN2O2/c1-10(2)18(4)14(19)9-20-15-12(8-11(3)17)6-5-7-13(15)16/h5-7,10-11H,8-9,17H2,1-4H3
InChIKeyZEGICXFMPIVURA-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide

2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 115958626) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID115958626
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(N)Cc1cccc(F)c1OCC(=O)N(C)C(C)C
InChIInChI=1S/C15H23FN2O2/c1-10(2)18(4)14(19)9-20-15-12(8-11(3)17)6-5-7-13(15)16/h5-7,10-11H,8-9,17H2,1-4H3
InChIKeyZEGICXFMPIVURA-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-6-bromophenoxy]-N,N-dimethylacetamide
CID 61392479
1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine
CID 114526348
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907716
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489248
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-(2-but-2-ynoxy-3-fluorophenyl)propan-2-amine
CID 112615813
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide (CID 115958626) is 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide is CC(N)Cc1cccc(F)c1OCC(=O)N(C)C(C)C.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is ZEGICXFMPIVURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)18(4)14(19)9-20-15-12(8-11(3)17)6-5-7-13(15)16/h5-7,10-11H,8-9,17H2,1-4H3.
What are the key properties of 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 282.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 115958626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).