2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide

C13H19FN2O — CID 115186879

IUPAC2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)c1ccc(F)c(C)c1
InChIInChI=1S/C13H19FN2O/c1-4-10(8-15)13(17)16(3)11-5-6-12(14)9(2)7-11/h5-7,10H,4,8,15H2,1-3H3
InChIKeyTWCNUFPIKAMKSO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.08
Rot. Bonds4

About 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide

2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide (PubChem CID 115186879) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
PubChem CID115186879
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)c1ccc(F)c(C)c1
InChIInChI=1S/C13H19FN2O/c1-4-10(8-15)13(17)16(3)11-5-6-12(14)9(2)7-11/h5-7,10H,4,8,15H2,1-3H3
InChIKeyTWCNUFPIKAMKSO-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
CID 115186880
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide
CID 115187012
3-amino-4-(4-fluoro-N,3-dimethylanilino)-4-oxobutanoic acid
CID 115181260
2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
CID 115186940
2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide
CID 115186906
4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
CID 115156948
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
CID 62122108
N-(3,4-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188788
2-cyano-N-(4-fluoro-3-methylphenyl)-N,3-dimethylbutanamide
CID 115188553
N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
CID 28755474
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
CID 65230074

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide (CID 115186879) is 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide is CCC(CN)C(=O)N(C)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide?
The InChIKey is TWCNUFPIKAMKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-10(8-15)13(17)16(3)11-5-6-12(14)9(2)7-11/h5-7,10H,4,8,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide?
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide is sourced from PubChem (CID 115186879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).