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

C11H15FN2O — CID 156843951

IUPACmethyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate
SMILESCO/C(=N\Cc1cccc(F)c1)C(C)N
InChIInChI=1S/C11H15FN2O/c1-8(13)11(15-2)14-7-9-4-3-5-10(12)6-9/h3-6,8H,7,13H2,1-2H3/b14-11-
InChIKeyGNKMSJMUMNZGHR-KAMYIIQDSA-N
MW210.25 g/mol
LogP1.72
Rot. Bonds3

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

methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate (PubChem CID 156843951) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate.

Molecular Properties

Compound Namemethyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate
PubChem CID156843951
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Namemethyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate
SMILESCO/C(=N\Cc1cccc(F)c1)C(C)N
InChIInChI=1S/C11H15FN2O/c1-8(13)11(15-2)14-7-9-4-3-5-10(12)6-9/h3-6,8H,7,13H2,1-2H3/b14-11-
InChIKeyGNKMSJMUMNZGHR-KAMYIIQDSA-N
XLogP1.72
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.72
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

N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055
N-(2,5-difluorobenzyl)-1-methoxypropan-2-amine
CID 3126331
(2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 792686
(2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine
CID 872123
(4-Fluoro-benzyl)-(2-methoxy-1-methyl-ethyl)-amine
CID 2853097
3,5-difluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 63181369
(1S)-1-(4-fluorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 68899050
Ethyl 2-amino-3-[(3-fluorophenyl)methylimino]butanoate
CID 123366792
2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide
CID 123610723
2-[2-[(2-Fluorophenyl)methylamino]propylideneamino]ethanol
CID 129169718
N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide
CID 145041868
(Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine
CID 145107629

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate?
The IUPAC name of methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate (CID 156843951) is methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate.
What is the SMILES notation for methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate?
The canonical SMILES for methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate is CO/C(=N\Cc1cccc(F)c1)C(C)N.
What is the InChIKey of methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate?
The InChIKey is GNKMSJMUMNZGHR-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8(13)11(15-2)14-7-9-4-3-5-10(12)6-9/h3-6,8H,7,13H2,1-2H3/b14-11-.
What are the key properties of methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate?
methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate has a molecular weight of 210.25 g/mol, XLogP of 1.72, 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-[(3-fluorophenyl)methyl]propanimidate is sourced from PubChem (CID 156843951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).