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

C12H17FN2O — CID 65234349

IUPAC3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
SMILESCCNC(CC(N)=O)c1ccc(C)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-3-15-11(7-12(14)16)9-5-4-8(2)10(13)6-9/h4-6,11,15H,3,7H2,1-2H3,(H2,14,16)
InChIKeyNRFLAVZMTNDWHT-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.66
Rot. Bonds5

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

3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 65234349) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
PubChem CID65234349
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
SMILESCCNC(CC(N)=O)c1ccc(C)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-3-15-11(7-12(14)16)9-5-4-8(2)10(13)6-9/h4-6,11,15H,3,7H2,1-2H3,(H2,14,16)
InChIKeyNRFLAVZMTNDWHT-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-3-(4-fluoro-3-methylphenyl)propanamide
CID 65234003
3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
CID 65236584
3-(ethylamino)-3-(3,4,5-trifluorophenyl)propanamide
CID 65233734
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
methyl 3-(3-fluoro-4-methylphenyl)-3-(propylamino)propanoate
CID 65236016
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanamide
CID 104823942
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide (CID 65234349) is 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide is CCNC(CC(N)=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is NRFLAVZMTNDWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-15-11(7-12(14)16)9-5-4-8(2)10(13)6-9/h4-6,11,15H,3,7H2,1-2H3,(H2,14,16).
What are the key properties of 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide?
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 224.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 65234349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).