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

C11H15FN2O — CID 65236584

IUPAC3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H15FN2O/c1-7-3-4-8(5-9(7)12)10(14-2)6-11(13)15/h3-5,10,14H,6H2,1-2H3,(H2,13,15)
InChIKeySUMDLWRPKCWPQL-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.27
Rot. Bonds4

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

3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide (PubChem CID 65236584) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
PubChem CID65236584
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H15FN2O/c1-7-3-4-8(5-9(7)12)10(14-2)6-11(13)15/h3-5,10,14H,6H2,1-2H3,(H2,13,15)
InChIKeySUMDLWRPKCWPQL-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
3-(ethylamino)-3-(4-fluoro-3-methylphenyl)propanamide
CID 65234003
3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine
CID 107129129
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide (CID 65236584) is 3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide is CNC(CC(N)=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide?
The InChIKey is SUMDLWRPKCWPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7-3-4-8(5-9(7)12)10(14-2)6-11(13)15/h3-5,10,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide?
3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide has a molecular weight of 210.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide is sourced from PubChem (CID 65236584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).