3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide

C14H22FN3 — CID 107117720

IUPAC3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(CCC)CCC)c1F
InChIInChI=1S/C14H22FN3/c1-3-8-18(9-4-2)10-11-6-5-7-12(13(11)15)14(16)17/h5-7H,3-4,8-10H2,1-2H3,(H3,16,17)
InChIKeyBZFDWILORKNVII-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.73
Rot. Bonds7

About 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide

3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide (PubChem CID 107117720) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide
PubChem CID107117720
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(CCC)CCC)c1F
InChIInChI=1S/C14H22FN3/c1-3-8-18(9-4-2)10-11-6-5-7-12(13(11)15)14(16)17/h5-7H,3-4,8-10H2,1-2H3,(H3,16,17)
InChIKeyBZFDWILORKNVII-UHFFFAOYSA-N
XLogP2.73
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.73
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

3-[[2-(dimethylamino)ethyl-propylamino]methyl]-2-fluorobenzenecarboximidamide
CID 107117880
3-[[butan-2-yl(methyl)amino]methyl]-2-fluorobenzenecarboximidamide
CID 107117756
2-fluoro-3-[(N-methylanilino)methyl]benzenecarboximidamide
CID 107117715
2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide
CID 24698282
3-(butylsulfanylmethyl)-2-fluorobenzenecarboximidamide
CID 107118475
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-fluoro-3-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 107118250
2-fluoro-3-(heptoxymethyl)benzenecarboximidamide
CID 107118150
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarboximidamide
CID 107117850
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
3-(tert-butylsulfanylmethyl)-2-fluorobenzenecarboximidamide
CID 107118462

Frequently Asked Questions

What is the IUPAC name of 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide?
The IUPAC name of 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide (CID 107117720) is 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide?
The canonical SMILES for 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cccc(CN(CCC)CCC)c1F.
What is the InChIKey of 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide?
The InChIKey is BZFDWILORKNVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-3-8-18(9-4-2)10-11-6-5-7-12(13(11)15)14(16)17/h5-7H,3-4,8-10H2,1-2H3,(H3,16,17).
What are the key properties of 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide?
3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide has a molecular weight of 251.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 107117720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).