N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide

C14H19FN2 — CID 123980735

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2/c1-5-13(16-4)17-10-14(2,3)11-6-8-12(15)9-7-11/h5-9H,1,10H2,2-4H3,(H,16,17)
InChIKeyFBZQMXMADRWANR-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide

N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide (PubChem CID 123980735) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide
PubChem CID123980735
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2/c1-5-13(16-4)17-10-14(2,3)11-6-8-12(15)9-7-11/h5-9H,1,10H2,2-4H3,(H,16,17)
InChIKeyFBZQMXMADRWANR-UHFFFAOYSA-N
XLogP2.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole
CID 24782016
2-(4-tert-Butylphenyl)-4,5-dihydro-1H-imidazole
CID 44269078
2-(4-tert-Butyl-2-methyl-benzyl)-4,5-dihydro-1H-imidazole
CID 9816035
2-(4-Isopropyl-benzyl)-4,5-dihydro-1H-imidazole
CID 9837108
2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole
CID 10012705
2-(4-tert-Butyl-benzyl)-4,5-dihydro-1H-imidazole
CID 10130620
2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole
CID 10987033
2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole
CID 10997791
2-[(2R)-2-phenylpropyl]-4,5-dihydro-1H-imidazole
CID 11063180
4,5-Dihydro-2-(2-phenylpropyl)-1H-imidazole
CID 12632113
2-(2,6-diethyl-benzyl)-4,5-dihydro-1H-imidazole
CID 24781714
N-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419865

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide (CID 123980735) is N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide is C=C/C(=N\C)NCC(C)(C)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide?
The InChIKey is FBZQMXMADRWANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-5-13(16-4)17-10-14(2,3)11-6-8-12(15)9-7-11/h5-9H,1,10H2,2-4H3,(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide?
N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide has a molecular weight of 234.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylprop-2-enimidamide is sourced from PubChem (CID 123980735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).