2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide

C13H20FN3 — CID 55234106

IUPAC2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(CC)CCCC
InChIInChI=1S/C13H20FN3/c1-3-5-8-17(4-2)12-7-6-10(14)9-11(12)13(15)16/h6-7,9H,3-5,8H2,1-2H3,(H3,15,16)
InChIKeyHUCCDONPJMRZCL-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.74
Rot. Bonds6

About 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide

2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide (PubChem CID 55234106) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
PubChem CID55234106
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(CC)CCCC
InChIInChI=1S/C13H20FN3/c1-3-5-8-17(4-2)12-7-6-10(14)9-11(12)13(15)16/h6-7,9H,3-5,8H2,1-2H3,(H3,15,16)
InChIKeyHUCCDONPJMRZCL-UHFFFAOYSA-N
XLogP2.74
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.74
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 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide 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

5-bromo-2-(dibutylamino)benzenecarboximidamide
CID 114892850
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 54933264
2-bromo-4-[3-(dimethylamino)propyl-ethylamino]-3-fluorobenzenecarboximidamide
CID 107536608
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
CID 63290879
2-(butoxymethyl)-5-fluorobenzenecarboximidamide
CID 63291033
2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929726
2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide
CID 55234516
5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 63673073
2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
CID 55233706
2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668828

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide (CID 55234106) is 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N(CC)CCCC.
What is the InChIKey of 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide?
The InChIKey is HUCCDONPJMRZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-3-5-8-17(4-2)12-7-6-10(14)9-11(12)13(15)16/h6-7,9H,3-5,8H2,1-2H3,(H3,15,16).
What are the key properties of 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide?
2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide has a molecular weight of 237.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 55234106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).