5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide

C14H16FN3S — CID 63290670

IUPAC5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)Cc1cccs1
InChIInChI=1S/C14H16FN3S/c1-18(9-12-3-2-6-19-12)8-10-4-5-11(15)7-13(10)14(16)17/h2-7H,8-9H2,1H3,(H3,16,17)
InChIKeyLRTKSMMCJAKTBZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.80
Rot. Bonds5

About 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide

5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 63290670) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID63290670
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)Cc1cccs1
InChIInChI=1S/C14H16FN3S/c1-18(9-12-3-2-6-19-12)8-10-4-5-11(15)7-13(10)14(16)17/h2-7H,8-9H2,1H3,(H3,16,17)
InChIKeyLRTKSMMCJAKTBZ-UHFFFAOYSA-N
XLogP2.80
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-fluorobenzenecarboximidamide
CID 63290672
5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290756
5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide
CID 65488750
2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 81056626
5-fluoro-2-[[methyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 63290840
2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
CID 63290879
5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711867
3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 43658312
2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 63290799
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251
3-[[(2-bromo-4-fluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 62967389

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide (CID 63290670) is 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN(C)Cc1cccs1.
What is the InChIKey of 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is LRTKSMMCJAKTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-18(9-12-3-2-6-19-12)8-10-4-5-11(15)7-13(10)14(16)17/h2-7H,8-9H2,1H3,(H3,16,17).
What are the key properties of 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide?
5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63290670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).