N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide

C13H19FN2O — CID 62677434

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C13H19FN2O/c1-4-13(2,3)12(17)16-10-5-6-11(14)9(7-10)8-15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyNFZZPJLUJFZNQH-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.66
Rot. Bonds4

About N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide

N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide (PubChem CID 62677434) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
PubChem CID62677434
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C13H19FN2O/c1-4-13(2,3)12(17)16-10-5-6-11(14)9(7-10)8-15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyNFZZPJLUJFZNQH-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
CID 65485514
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
3-(aminomethyl)-4-fluoro-N-methylaniline
CID 82502624
2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
CID 62677678
N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
CID 62537171

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide (CID 62677434) is N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(F)c(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide?
The InChIKey is NFZZPJLUJFZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-13(2,3)12(17)16-10-5-6-11(14)9(7-10)8-15/h5-7H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide?
N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 62677434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).