2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide

C11H16FN3O — CID 43373913

IUPAC2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccc(CN)cc1F
InChIInChI=1S/C11H16FN3O/c1-15(7-11(14)16)6-9-3-2-8(5-13)4-10(9)12/h2-4H,5-7,13H2,1H3,(H2,14,16)
InChIKeyCANFJNFRVXOFPJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.20
Rot. Bonds5

About 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide

2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide (PubChem CID 43373913) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
PubChem CID43373913
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccc(CN)cc1F
InChIInChI=1S/C11H16FN3O/c1-15(7-11(14)16)6-9-3-2-8(5-13)4-10(9)12/h2-4H,5-7,13H2,1H3,(H2,14,16)
InChIKeyCANFJNFRVXOFPJ-UHFFFAOYSA-N
XLogP0.20
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81059488
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 107455650
[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 61421488
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 61414070
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030
2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
CID 63088172
1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79303970
2-[[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]acetamide
CID 54970140

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide (CID 43373913) is 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide is CN(CC(N)=O)Cc1ccc(CN)cc1F.
What is the InChIKey of 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide?
The InChIKey is CANFJNFRVXOFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15(7-11(14)16)6-9-3-2-8(5-13)4-10(9)12/h2-4H,5-7,13H2,1H3,(H2,14,16).
What are the key properties of 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide?
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide has a molecular weight of 225.27 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 43373913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).