2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide

C14H16FN3S — CID 63668141

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(CC)Cc1cccs1
InChIInChI=1S/C14H16FN3S/c1-2-18(9-11-4-3-7-19-11)13-6-5-10(15)8-12(13)14(16)17/h3-8H,2,9H2,1H3,(H3,16,17)
InChIKeyUADAGHDWKUYGTP-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.20
Rot. Bonds5

About 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide

2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide (PubChem CID 63668141) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
PubChem CID63668141
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(CC)Cc1cccs1
InChIInChI=1S/C14H16FN3S/c1-2-18(9-11-4-3-7-19-11)13-6-5-10(15)8-12(13)14(16)17/h3-8H,2,9H2,1H3,(H3,16,17)
InChIKeyUADAGHDWKUYGTP-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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

5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290670
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 63087220
2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
CID 55234106
N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 61437397
3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513495
2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110111
2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
CID 63290879
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 43658312
3-[ethyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684545
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
CID 115368028
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76904138

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide (CID 63668141) is 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N(CC)Cc1cccs1.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide?
The InChIKey is UADAGHDWKUYGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-2-18(9-11-4-3-7-19-11)13-6-5-10(15)8-12(13)14(16)17/h3-8H,2,9H2,1H3,(H3,16,17).
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide?
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63668141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).