1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine

C12H15FN2 — CID 91051986

IUPAC1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine
SMILESC=C/C(=N\C)c1ccc(CNC)cc1F
InChIInChI=1S/C12H15FN2/c1-4-12(15-3)10-6-5-9(8-14-2)7-11(10)13/h4-7,14H,1,8H2,2-3H3/b15-12+
InChIKeyXOKXTSGLYMMXAL-NTCAYCPXSA-N
MW206.26 g/mol
LogP2.15
Rot. Bonds4

About 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine

1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 91051986) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine
PubChem CID91051986
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine
SMILESC=C/C(=N\C)c1ccc(CNC)cc1F
InChIInChI=1S/C12H15FN2/c1-4-12(15-3)10-6-5-9(8-14-2)7-11(10)13/h4-7,14H,1,8H2,2-3H3/b15-12+
InChIKeyXOKXTSGLYMMXAL-NTCAYCPXSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1-(2-Fluoro-4-(trifluoromethyl)phenyl)ethyl)(methyl)amine
CID 130023004
N-Methyl-4-ethylbenzylamine
CID 2060575
[(2-Fluoro-4-methylphenyl)methyl](methyl)amine hydrochloride
CID 165738175
N,N',4-trimethylbenzenecarboximidamide
CID 3049225
1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 20804955
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 20805050
N,N'-dimethyl-4-(trifluoromethyl)benzenecarboximidamide
CID 21520421
[(3-Fluoro-4-methylphenyl)methyl](methyl)amine
CID 43163688
2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 43481735
N-(2-Fluoro-4-methylbenzyl)-N-methylamine
CID 53256634
1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine
CID 54775601
N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine
CID 57004417

Frequently Asked Questions

What is the IUPAC name of 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine (CID 91051986) is 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine is C=C/C(=N\C)c1ccc(CNC)cc1F.
What is the InChIKey of 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is XOKXTSGLYMMXAL-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H15FN2/c1-4-12(15-3)10-6-5-9(8-14-2)7-11(10)13/h4-7,14H,1,8H2,2-3H3/b15-12+.
What are the key properties of 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 206.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 91051986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).