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

C14H16FN3S — CID 107117760

IUPAC2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)Cc2cccs2)c1F
InChIInChI=1S/C14H16FN3S/c1-18(9-11-5-3-7-19-11)8-10-4-2-6-12(13(10)15)14(16)17/h2-7H,8-9H2,1H3,(H3,16,17)
InChIKeyCERJOUIZUYOPKN-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.80
Rot. Bonds5

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

2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 107117760) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID107117760
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)Cc2cccs2)c1F
InChIInChI=1S/C14H16FN3S/c1-18(9-11-5-3-7-19-11)8-10-4-2-6-12(13(10)15)14(16)17/h2-7H,8-9H2,1H3,(H3,16,17)
InChIKeyCERJOUIZUYOPKN-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

1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 94897962
N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 75863883
N-methyl-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 134793424
N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 134795379
N-(2-aminoethanimidoyl)-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylethanimidamide
CID 145025746
2-Phenyl-1-propyl-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344438
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide
CID 24695575
N-[(3-methylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 28444960
3-Fluoro-4-(thiophen-2-ylsulfanylmethyl)benzenecarboximidamide
CID 28602934
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43095002
N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287368
N-[[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287369

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide (CID 107117760) is 2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN(C)Cc2cccs2)c1F.
What is the InChIKey of 2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is CERJOUIZUYOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-18(9-11-5-3-7-19-11)8-10-4-2-6-12(13(10)15)14(16)17/h2-7H,8-9H2,1H3,(H3,16,17).
What are the key properties of 2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide?
2-fluoro-3-[[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 2-fluoro-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 107117760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).