3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide

C10H14FN3 — CID 80696188

IUPAC3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CCF)c1
InChIInChI=1S/C10H14FN3/c1-14(6-5-11)9-4-2-3-8(7-9)10(12)13/h2-4,7H,5-6H2,1H3,(H3,12,13)
InChIKeyLYMPUQVLHVSILS-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.38
Rot. Bonds4

About 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide

3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide (PubChem CID 80696188) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
PubChem CID80696188
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CCF)c1
InChIInChI=1S/C10H14FN3/c1-14(6-5-11)9-4-2-3-8(7-9)10(12)13/h2-4,7H,5-6H2,1H3,(H3,12,13)
InChIKeyLYMPUQVLHVSILS-UHFFFAOYSA-N
XLogP1.38
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.38
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'}

Analyze 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzenecarboximidamide
CID 112589680
3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]benzenecarboximidamide
CID 62971703
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 62970652
3-[2-(3-bromophenoxy)ethyl-methylamino]benzenecarboximidamide
CID 62971878
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
3-[methyl(1,3-thiazol-5-ylmethyl)amino]benzenecarboximidamide
CID 112640775
3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]benzenecarboximidamide
CID 104631152

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide (CID 80696188) is 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)CCF)c1.
What is the InChIKey of 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide?
The InChIKey is LYMPUQVLHVSILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-14(6-5-11)9-4-2-3-8(7-9)10(12)13/h2-4,7H,5-6H2,1H3,(H3,12,13).
What are the key properties of 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide?
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide has a molecular weight of 195.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 80696188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).