2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide

C14H20F2N2O — CID 106344464

IUPAC2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide
SMILESCc1cc(F)c(C(C)NC(C(N)=O)C(C)C)cc1F
InChIInChI=1S/C14H20F2N2O/c1-7(2)13(14(17)19)18-9(4)10-6-11(15)8(3)5-12(10)16/h5-7,9,13,18H,1-4H3,(H2,17,19)
InChIKeyMGLHHJLWTILTGL-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide

2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide (PubChem CID 106344464) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide
PubChem CID106344464
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide
SMILESCc1cc(F)c(C(C)NC(C(N)=O)C(C)C)cc1F
InChIInChI=1S/C14H20F2N2O/c1-7(2)13(14(17)19)18-9(4)10-6-11(15)8(3)5-12(10)16/h5-7,9,13,18H,1-4H3,(H2,17,19)
InChIKeyMGLHHJLWTILTGL-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide
CID 106344280
2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide
CID 106344408
2-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-methylbutanamide
CID 106344381
methyl (2S)-2-(2,5-difluoro-4-methylphenyl)propanoate
CID 124636879
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate
CID 83210980
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43414590
2-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343847
(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81403834
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-fluoro-4-methylbenzamide
CID 106343679
1-(2,5-difluoro-4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710749

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide?
The IUPAC name of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide (CID 106344464) is 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide?
The canonical SMILES for 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide is Cc1cc(F)c(C(C)NC(C(N)=O)C(C)C)cc1F.
What is the InChIKey of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide?
The InChIKey is MGLHHJLWTILTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-7(2)13(14(17)19)18-9(4)10-6-11(15)8(3)5-12(10)16/h5-7,9,13,18H,1-4H3,(H2,17,19).
What are the key properties of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide?
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide has a molecular weight of 270.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide is sourced from PubChem (CID 106344464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).