2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide

C13H18FN3O — CID 113295386

IUPAC2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1ccc(CN)c(F)c1
InChIInChI=1S/C13H18FN3O/c1-17(8-13(18)16-10-3-4-10)11-5-2-9(7-15)12(14)6-11/h2,5-6,10H,3-4,7-8,15H2,1H3,(H,16,18)
InChIKeyJZNXRVMCNITDRG-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.00
Rot. Bonds5

About 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide

2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide (PubChem CID 113295386) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide
PubChem CID113295386
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1ccc(CN)c(F)c1
InChIInChI=1S/C13H18FN3O/c1-17(8-13(18)16-10-3-4-10)11-5-2-9(7-15)12(14)6-11/h2,5-6,10H,3-4,7-8,15H2,1H3,(H,16,18)
InChIKeyJZNXRVMCNITDRG-UHFFFAOYSA-N
XLogP1.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide
CID 106914418
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
CID 62135938
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
2-(3,4-difluoro-N-methylanilino)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23026600
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098177
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
CID 115366879
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide (CID 113295386) is 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)c1ccc(CN)c(F)c1.
What is the InChIKey of 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide?
The InChIKey is JZNXRVMCNITDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-17(8-13(18)16-10-3-4-10)11-5-2-9(7-15)12(14)6-11/h2,5-6,10H,3-4,7-8,15H2,1H3,(H,16,18).
What are the key properties of 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide?
2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide has a molecular weight of 251.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide is sourced from PubChem (CID 113295386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).