3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide

C11H15FN2O2 — CID 65236183

IUPAC3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-14-9(6-11(13)15)7-3-4-10(16-2)8(12)5-7/h3-5,9,14H,6H2,1-2H3,(H2,13,15)
InChIKeyPOCPKIHISBNXNF-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.97
Rot. Bonds5

About 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide

3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide (PubChem CID 65236183) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
PubChem CID65236183
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-14-9(6-11(13)15)7-3-4-10(16-2)8(12)5-7/h3-5,9,14H,6H2,1-2H3,(H2,13,15)
InChIKeyPOCPKIHISBNXNF-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
CID 65236584
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
5-(3-fluoro-4-methoxyphenyl)-5-(methylamino)pentan-2-one
CID 116956141
2-(3-fluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 65096535
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
(3R)-3-acetamido-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 104941201
1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
3-(ethylamino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 65233760
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide (CID 65236183) is 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide is CNC(CC(N)=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide?
The InChIKey is POCPKIHISBNXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-14-9(6-11(13)15)7-3-4-10(16-2)8(12)5-7/h3-5,9,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide?
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide has a molecular weight of 226.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide is sourced from PubChem (CID 65236183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).