2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide

C13H18F2N2O — CID 115187511

IUPAC2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide
SMILESCC(C)C(CN)C(=O)N(C)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(2)10(7-16)13(18)17(3)12-6-9(14)4-5-11(12)15/h4-6,8,10H,7,16H2,1-3H3
InChIKeyAOQUJMJLUFJZPY-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.16
Rot. Bonds4

About 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide

2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide (PubChem CID 115187511) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide
PubChem CID115187511
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide
SMILESCC(C)C(CN)C(=O)N(C)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(2)10(7-16)13(18)17(3)12-6-9(14)4-5-11(12)15/h4-6,8,10H,7,16H2,1-3H3
InChIKeyAOQUJMJLUFJZPY-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
CID 115153564
N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186450
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide
CID 115187558
N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
CID 115176272
2-(aminomethyl)-1-(3,4-difluorophenyl)-3-methylbutan-1-one
CID 116573820
2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide
CID 115152312
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide
CID 115160992
2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 65230166
4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide
CID 115156651
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide (CID 115187511) is 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide is CC(C)C(CN)C(=O)N(C)c1cc(F)ccc1F.
What is the InChIKey of 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide?
The InChIKey is AOQUJMJLUFJZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(2)10(7-16)13(18)17(3)12-6-9(14)4-5-11(12)15/h4-6,8,10H,7,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide?
2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide has a molecular weight of 256.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115187511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).