3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide

C13H14FN3S — CID 43658312

IUPAC3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cccs2)c(F)c1
InChIInChI=1S/C13H14FN3S/c1-17(8-10-3-2-6-18-10)12-5-4-9(13(15)16)7-11(12)14/h2-7H,8H2,1H3,(H3,15,16)
InChIKeyBCCFVLVOYXFIJX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.81
Rot. Bonds4

About 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide

3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide (PubChem CID 43658312) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
PubChem CID43658312
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cccs2)c(F)c1
InChIInChI=1S/C13H14FN3S/c1-17(8-10-3-2-6-18-10)12-5-4-9(13(15)16)7-11(12)14/h2-7H,8H2,1H3,(H3,15,16)
InChIKeyBCCFVLVOYXFIJX-UHFFFAOYSA-N
XLogP2.81
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.81
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

4-(dimethylamino)-3-fluorobenzenecarboximidamide
CID 43658256
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 63087220
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
4-(chloromethyl)-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527733
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799105
4-[butan-2-yl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 43658301
5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290670
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76904138
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 63681580
4,6-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61175593

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide (CID 43658312) is 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2cccs2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is BCCFVLVOYXFIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-17(8-10-3-2-6-18-10)12-5-4-9(13(15)16)7-11(12)14/h2-7H,8H2,1H3,(H3,15,16).
What are the key properties of 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide?
3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 43658312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).