2-(benzylamino)-6-fluorobenzenecarboximidamide

C14H14FN3 — CID 82253404

IUPAC2-(benzylamino)-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1NCc1ccccc1
InChIInChI=1S/C14H14FN3/c15-11-7-4-8-12(13(11)14(16)17)18-9-10-5-2-1-3-6-10/h1-8,18H,9H2,(H3,16,17)
InChIKeyMIIYNNVSDVTMLF-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.72
Rot. Bonds4

About 2-(benzylamino)-6-fluorobenzenecarboximidamide

2-(benzylamino)-6-fluorobenzenecarboximidamide (PubChem CID 82253404) has the molecular formula C14H14FN3 and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(benzylamino)-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(benzylamino)-6-fluorobenzenecarboximidamide
PubChem CID82253404
Molecular FormulaC14H14FN3
Molecular Weight243.29 g/mol
Exact Mass243.12
IUPAC Name2-(benzylamino)-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1NCc1ccccc1
InChIInChI=1S/C14H14FN3/c15-11-7-4-8-12(13(11)14(16)17)18-9-10-5-2-1-3-6-10/h1-8,18H,9H2,(H3,16,17)
InChIKeyMIIYNNVSDVTMLF-UHFFFAOYSA-N
XLogP2.72
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(benzylamino)benzenecarboximidamide
CID 82253277
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
N-benzyl-2,3-difluoroaniline
CID 21321341
3-[(2-carbamoyl-3-fluoroanilino)methyl]benzoic acid
CID 79515578
2-fluoro-6-(3-morpholin-4-ylpropylamino)benzenecarboximidamide
CID 82253738
2-(3,3-dimethylbutylsulfonylamino)-6-fluorobenzenecarboximidamide
CID 103521962
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
CID 58989809
2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
4-[(2-carbamimidoylanilino)methyl]benzoic acid
CID 82253624
4-[(2-carbamimidoylanilino)methyl]benzoic acid;hydrochloride
CID 82253623
acetic acid;1-[(3-carbamimidoylphenyl)methyl]-3-(2-fluorophenyl)urea
CID 155858791

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-(benzylamino)-6-fluorobenzenecarboximidamide (CID 82253404) is 2-(benzylamino)-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(benzylamino)-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(benzylamino)-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-6-fluorobenzenecarboximidamide?
The InChIKey is MIIYNNVSDVTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c15-11-7-4-8-12(13(11)14(16)17)18-9-10-5-2-1-3-6-10/h1-8,18H,9H2,(H3,16,17).
What are the key properties of 2-(benzylamino)-6-fluorobenzenecarboximidamide?
2-(benzylamino)-6-fluorobenzenecarboximidamide has a molecular weight of 243.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 82253404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).