2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide

C12H17FN2O2 — CID 47286834

IUPAC2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
SMILESCC(C(N)=O)N(C)CCOc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-9(12(14)16)15(2)6-7-17-11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H2,14,16)
InChIKeyBZVXMQHTSIUPFW-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.01
Rot. Bonds6

About 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide

2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide (PubChem CID 47286834) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
PubChem CID47286834
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
SMILESCC(C(N)=O)N(C)CCOc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-9(12(14)16)15(2)6-7-17-11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H2,14,16)
InChIKeyBZVXMQHTSIUPFW-UHFFFAOYSA-N
XLogP1.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990
1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene
CID 112686090
2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
CID 60946637
N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766
2-(cyclopropylamino)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 54872660
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
2-(1-aminocyclopentyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 64679568
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 55840025
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 55839888

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide?
The IUPAC name of 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide (CID 47286834) is 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide?
The canonical SMILES for 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide is CC(C(N)=O)N(C)CCOc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide?
The InChIKey is BZVXMQHTSIUPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(12(14)16)15(2)6-7-17-11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide?
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide has a molecular weight of 240.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide is sourced from PubChem (CID 47286834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).