methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate

C13H17FN2O — CID 155718624

IUPACmethyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate
SMILESCO/C(CN)=N\C(=C(C)C)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(2)13(16-12(8-15)17-3)10-5-4-6-11(14)7-10/h4-7H,8,15H2,1-3H3/b16-12-
InChIKeyFUCFDMNZCYFIOM-VBKFSLOCSA-N
MW236.29 g/mol
LogP2.58
Rot. Bonds3

About methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate

methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate (PubChem CID 155718624) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate.

Molecular Properties

Compound Namemethyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate
PubChem CID155718624
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Namemethyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate
SMILESCO/C(CN)=N\C(=C(C)C)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(2)13(16-12(8-15)17-3)10-5-4-6-11(14)7-10/h4-7H,8,15H2,1-3H3/b16-12-
InChIKeyFUCFDMNZCYFIOM-VBKFSLOCSA-N
XLogP2.58
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl N-[1-(4-fluorophenyl)ethenyl]methanimidate
CID 89198242
(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
CID 123228856
2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide
CID 123610723
(Z)-1-(4-fluorophenyl)-3-methyliminoprop-1-en-1-amine
CID 145664332
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]-3-methylbutanimidate
CID 155718546
[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
CID 155718667
[4-[1-[(3-Fluoro-3-methylbutan-2-ylidene)amino]ethenyl]phenyl]methanamine
CID 156543743
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate
CID 156843898
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 163490539
3-[(2-Fluorophenyl)methylimino]-6-methylidenenon-4-en-5-amine
CID 173765895
1-[(2-Fluorophenyl)methylimino]-4-methylidenehept-2-en-3-amine
CID 173765898
3-[(2-Fluorophenyl)methylimino]-4-methyl-6-methylidenenon-4-en-5-amine
CID 173765899

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate?
The IUPAC name of methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate (CID 155718624) is methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate.
What is the SMILES notation for methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate?
The canonical SMILES for methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate is CO/C(CN)=N\C(=C(C)C)c1cccc(F)c1.
What is the InChIKey of methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate?
The InChIKey is FUCFDMNZCYFIOM-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(2)13(16-12(8-15)17-3)10-5-4-6-11(14)7-10/h4-7H,8,15H2,1-3H3/b16-12-.
What are the key properties of methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate?
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate has a molecular weight of 236.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate is sourced from PubChem (CID 155718624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).