3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide

C12H18FN3O — CID 106914418

IUPAC3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C12H18FN3O/c1-15-12(17)5-6-16(2)10-4-3-9(8-14)11(13)7-10/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyQXPLSILVJFKCCN-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.86
Rot. Bonds5

About 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide

3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide (PubChem CID 106914418) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide
PubChem CID106914418
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C12H18FN3O/c1-15-12(17)5-6-16(2)10-4-3-9(8-14)11(13)7-10/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyQXPLSILVJFKCCN-UHFFFAOYSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106914437
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide
CID 113295386
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
3-(4-amino-3-cyano-N-methylanilino)-N-methylpropanamide
CID 106914203
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914433
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide
CID 68684023

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide?
The IUPAC name of 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide (CID 106914418) is 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide?
The canonical SMILES for 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide is CNC(=O)CCN(C)c1ccc(CN)c(F)c1.
What is the InChIKey of 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide?
The InChIKey is QXPLSILVJFKCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-15-12(17)5-6-16(2)10-4-3-9(8-14)11(13)7-10/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide?
3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide has a molecular weight of 239.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide is sourced from PubChem (CID 106914418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).