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

C14H19FN2O — CID 156843898

IUPACmethyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate
SMILESCO/C(=N\C(=C(C)C)c1cccc(F)c1)C(C)N
InChIInChI=1S/C14H19FN2O/c1-9(2)13(17-14(18-4)10(3)16)11-6-5-7-12(15)8-11/h5-8,10H,16H2,1-4H3/b17-14-
InChIKeyRSZLUCUFGSZVLA-VKAVYKQESA-N
MW250.32 g/mol
LogP2.97
Rot. Bonds3

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

methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate (PubChem CID 156843898) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate.

Molecular Properties

Compound Namemethyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate
PubChem CID156843898
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Namemethyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate
SMILESCO/C(=N\C(=C(C)C)c1cccc(F)c1)C(C)N
InChIInChI=1S/C14H19FN2O/c1-9(2)13(17-14(18-4)10(3)16)11-6-5-7-12(15)8-11/h5-8,10H,16H2,1-4H3/b17-14-
InChIKeyRSZLUCUFGSZVLA-VKAVYKQESA-N
XLogP2.97
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.97
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'}

Analyze methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2-Fluorophenyl)methylamino]propylideneamino]ethanol
CID 129169718
(3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine
CID 135224098
(Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine
CID 145107629
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-amine
CID 145107777
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]-3-methylbutanimidate
CID 155718546
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate
CID 155718624
[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 N-[1-(3-fluorophenyl)-2-methylbut-1-enyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanimidate
CID 156844056
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 163490539
6-fluoro-2-methyl-7-(4-methylphenyl)-4,5-dihydro-3H-azepin-5-amine
CID 170053168
(3R)-5-ethoxy-3-(3-fluorophenyl)-6-methyl-1,2,3,6-tetrahydropyrazine
CID 173628952

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate?
The IUPAC name of methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate (CID 156843898) is methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate.
What is the SMILES notation for methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate?
The canonical SMILES for methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate is CO/C(=N\C(=C(C)C)c1cccc(F)c1)C(C)N.
What is the InChIKey of methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate?
The InChIKey is RSZLUCUFGSZVLA-VKAVYKQESA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(2)13(17-14(18-4)10(3)16)11-6-5-7-12(15)8-11/h5-8,10H,16H2,1-4H3/b17-14-.
What are the key properties of methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate?
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate has a molecular weight of 250.32 g/mol, XLogP of 2.97, 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]propanimidate is sourced from PubChem (CID 156843898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).