2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide

C15H24FN3O — CID 107878250

IUPAC2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C15H24FN3O/c1-4-19(5-2)15(20)11-18(3)10-12-6-7-14(16)13(8-12)9-17/h6-8H,4-5,9-11,17H2,1-3H3
InChIKeyURAITKSYIJEDHD-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.58
Rot. Bonds7

About 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide

2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide (PubChem CID 107878250) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
PubChem CID107878250
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C15H24FN3O/c1-4-19(5-2)15(20)11-18(3)10-12-6-7-14(16)13(8-12)9-17/h6-8H,4-5,9-11,17H2,1-3H3
InChIKeyURAITKSYIJEDHD-UHFFFAOYSA-N
XLogP1.58
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 64770089
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-ethylacetamide
CID 114011952
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 107878095
2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 103758312
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
CID 107878275
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107878631
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345821
N,N-diethyl-2-[(4-hydroxyphenyl)methyl-methylamino]acetamide
CID 82973362
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 107455650
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 114011948

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide (CID 107878250) is 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1ccc(F)c(CN)c1.
What is the InChIKey of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is URAITKSYIJEDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-19(5-2)15(20)11-18(3)10-12-6-7-14(16)13(8-12)9-17/h6-8H,4-5,9-11,17H2,1-3H3.
What are the key properties of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide?
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 107878250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).