2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide

C14H20FN3 — CID 63290799

IUPAC2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)C(C)C1CC1
InChIInChI=1S/C14H20FN3/c1-9(10-3-4-10)18(2)8-11-5-6-12(15)7-13(11)14(16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H3,16,17)
InChIKeyZNDATFFZVFSRLU-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.34
Rot. Bonds5

About 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide

2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide (PubChem CID 63290799) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
PubChem CID63290799
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)C(C)C1CC1
InChIInChI=1S/C14H20FN3/c1-9(10-3-4-10)18(2)8-11-5-6-12(15)7-13(11)14(16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H3,16,17)
InChIKeyZNDATFFZVFSRLU-UHFFFAOYSA-N
XLogP2.34
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.34
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(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 63290840
2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-fluorobenzenecarboximidamide
CID 63290672
5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711867
5-fluoro-2-(propan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 63291250
2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 81056626
2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760699
5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide
CID 65488750
2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
CID 63290879
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251
5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290670
3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzenecarbothioamide
CID 43569173
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide (CID 63290799) is 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN(C)C(C)C1CC1.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide?
The InChIKey is ZNDATFFZVFSRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-9(10-3-4-10)18(2)8-11-5-6-12(15)7-13(11)14(16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H3,16,17).
What are the key properties of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide?
2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide has a molecular weight of 249.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63290799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).