3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide

C13H19FN2O — CID 104580146

IUPAC3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide
SMILESCc1cc(F)ccc1CNC(C)(C)CC(N)=O
InChIInChI=1S/C13H19FN2O/c1-9-6-11(14)5-4-10(9)8-16-13(2,3)7-12(15)17/h4-6,16H,7-8H2,1-3H3,(H2,15,17)
InChIKeyCGKZSHJCOOWFRI-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.88
Rot. Bonds5

About 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide

3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide (PubChem CID 104580146) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide
PubChem CID104580146
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide
SMILESCc1cc(F)ccc1CNC(C)(C)CC(N)=O
InChIInChI=1S/C13H19FN2O/c1-9-6-11(14)5-4-10(9)8-16-13(2,3)7-12(15)17/h4-6,16H,7-8H2,1-3H3,(H2,15,17)
InChIKeyCGKZSHJCOOWFRI-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989
3-[(5-fluoro-2-nitrophenyl)methylamino]-3-methylbutanamide
CID 104580503
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 114349105
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 114349198
2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid
CID 65055742
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
CID 104580524
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
1-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-one
CID 114347218
2-ethyl-2-[(4-fluoro-2-methylphenyl)methylamino]propane-1,3-diol
CID 107864906
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-3-methylbutanamide
CID 114142794

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide?
The IUPAC name of 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide (CID 104580146) is 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide is Cc1cc(F)ccc1CNC(C)(C)CC(N)=O.
What is the InChIKey of 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide?
The InChIKey is CGKZSHJCOOWFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-6-11(14)5-4-10(9)8-16-13(2,3)7-12(15)17/h4-6,16H,7-8H2,1-3H3,(H2,15,17).
What are the key properties of 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide?
3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 104580146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).