2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide

C14H22FN3O — CID 107113242

IUPAC2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cccc(CN)c1F
InChIInChI=1S/C14H22FN3O/c1-3-7-17-13(19)10-18(2)9-12-6-4-5-11(8-16)14(12)15/h4-6H,3,7-10,16H2,1-2H3,(H,17,19)
InChIKeyVWSOWILKWWUBCE-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.24
Rot. Bonds7

About 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide

2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide (PubChem CID 107113242) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
PubChem CID107113242
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cccc(CN)c1F
InChIInChI=1S/C14H22FN3O/c1-3-7-17-13(19)10-18(2)9-12-6-4-5-11(8-16)14(12)15/h4-6H,3,7-10,16H2,1-2H3,(H,17,19)
InChIKeyVWSOWILKWWUBCE-UHFFFAOYSA-N
XLogP1.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 79242742
methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
CID 104824482
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 78791395
2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide
CID 62470888
4-fluoro-3-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoic acid
CID 107452224
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
CID 112616212
2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037419
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
CID 104513610

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide (CID 107113242) is 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1cccc(CN)c1F.
What is the InChIKey of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide?
The InChIKey is VWSOWILKWWUBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-7-17-13(19)10-18(2)9-12-6-4-5-11(8-16)14(12)15/h4-6H,3,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide?
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide has a molecular weight of 267.35 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 107113242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).