2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide

C17H20FN3 — CID 62979001

IUPAC2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C17H20FN3/c1-12(14-8-5-6-10-16(14)18)21(2)11-13-7-3-4-9-15(13)17(19)20/h3-10,12H,11H2,1-2H3,(H3,19,20)
InChIKeyBKHBKCHJCFCYNG-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.30
Rot. Bonds5

About 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide

2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide (PubChem CID 62979001) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide
PubChem CID62979001
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C17H20FN3/c1-12(14-8-5-6-10-16(14)18)21(2)11-13-7-3-4-9-15(13)17(19)20/h3-10,12H,11H2,1-2H3,(H3,19,20)
InChIKeyBKHBKCHJCFCYNG-UHFFFAOYSA-N
XLogP3.30
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[[butan-2-yl(methyl)amino]methyl]-2-fluorobenzenecarboximidamide
CID 107117756
[2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenyl]boronic acid
CID 62984689
4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
CID 62978067
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930493
1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 54994276
6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64595166
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine
CID 83034891
2-fluoro-3-[(N-methylanilino)methyl]benzenecarboximidamide
CID 107117715
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide?
The IUPAC name of 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide (CID 62979001) is 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CN(C)C(C)c1ccccc1F.
What is the InChIKey of 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide?
The InChIKey is BKHBKCHJCFCYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-12(14-8-5-6-10-16(14)18)21(2)11-13-7-3-4-9-15(13)17(19)20/h3-10,12H,11H2,1-2H3,(H3,19,20).
What are the key properties of 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide?
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide has a molecular weight of 285.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 62979001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).