4-(dimethylamino)-3-fluorobenzenecarboximidamide

C9H12FN3 — CID 43658256

IUPAC4-(dimethylamino)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C)c(F)c1
InChIInChI=1S/C9H12FN3/c1-13(2)8-4-3-6(9(11)12)5-7(8)10/h3-5H,1-2H3,(H3,11,12)
InChIKeyOORXBBFFUXXPLF-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.18
Rot. Bonds2

About 4-(dimethylamino)-3-fluorobenzenecarboximidamide

4-(dimethylamino)-3-fluorobenzenecarboximidamide (PubChem CID 43658256) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-(dimethylamino)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-fluorobenzenecarboximidamide
PubChem CID43658256
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name4-(dimethylamino)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C)c(F)c1
InChIInChI=1S/C9H12FN3/c1-13(2)8-4-3-6(9(11)12)5-7(8)10/h3-5H,1-2H3,(H3,11,12)
InChIKeyOORXBBFFUXXPLF-UHFFFAOYSA-N
XLogP1.18
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.18
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'}

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Related Compounds

4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
4-[butan-2-yl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 43658301
4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide
CID 61448650
4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide
CID 55011485
3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 43658312
4-[2-ethoxyethyl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 55227881
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 63681580
3-fluoro-4-[[methyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 43571163
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799105
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
3-fluoro-4-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572176
1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone
CID 83388961

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(dimethylamino)-3-fluorobenzenecarboximidamide (CID 43658256) is 4-(dimethylamino)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(dimethylamino)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(dimethylamino)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)C)c(F)c1.
What is the InChIKey of 4-(dimethylamino)-3-fluorobenzenecarboximidamide?
The InChIKey is OORXBBFFUXXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c1-13(2)8-4-3-6(9(11)12)5-7(8)10/h3-5H,1-2H3,(H3,11,12).
What are the key properties of 4-(dimethylamino)-3-fluorobenzenecarboximidamide?
4-(dimethylamino)-3-fluorobenzenecarboximidamide has a molecular weight of 181.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 43658256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).