2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide

C16H18FN3 — CID 63290879

IUPAC2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(CC)c1ccccc1
InChIInChI=1S/C16H18FN3/c1-2-20(14-6-4-3-5-7-14)11-12-8-9-13(17)10-15(12)16(18)19/h3-10H,2,11H2,1H3,(H3,18,19)
InChIKeyUGDPGPFNZANGRJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.14
Rot. Bonds5

About 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide

2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide (PubChem CID 63290879) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
PubChem CID63290879
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(CC)c1ccccc1
InChIInChI=1S/C16H18FN3/c1-2-20(14-6-4-3-5-7-14)11-12-8-9-13(17)10-15(12)16(18)19/h3-10H,2,11H2,1H3,(H3,18,19)
InChIKeyUGDPGPFNZANGRJ-UHFFFAOYSA-N
XLogP3.14
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.14
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

5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide
CID 65488750
5-fluoro-2-[[methyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 63290840
2-[(N-ethylanilino)methyl]-4-fluorophenol
CID 102978616
2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 81056626
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-fluorobenzenecarboximidamide
CID 63290672
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251
4-[(N-ethyl-3-methylanilino)methyl]-3-fluorobenzenecarboximidamide
CID 61075864
5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290670
2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
CID 55234106
5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290756

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide (CID 63290879) is 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN(CC)c1ccccc1.
What is the InChIKey of 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide?
The InChIKey is UGDPGPFNZANGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-2-20(14-6-4-3-5-7-14)11-12-8-9-13(17)10-15(12)16(18)19/h3-10H,2,11H2,1H3,(H3,18,19).
What are the key properties of 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide?
2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide has a molecular weight of 271.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63290879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).