methyl 3-[(3-fluorophenyl)methylamino]propanoate

C11H14FNO2 — CID 43088302

IUPACmethyl 3-[(3-fluorophenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-15-11(14)5-6-13-8-9-3-2-4-10(12)7-9/h2-4,7,13H,5-6,8H2,1H3
InChIKeyOFZFUKUXNXHNNV-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.48
Rot. Bonds5

About methyl 3-[(3-fluorophenyl)methylamino]propanoate

methyl 3-[(3-fluorophenyl)methylamino]propanoate (PubChem CID 43088302) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl 3-[(3-fluorophenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-fluorophenyl)methylamino]propanoate
PubChem CID43088302
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl 3-[(3-fluorophenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-15-11(14)5-6-13-8-9-3-2-4-10(12)7-9/h2-4,7,13H,5-6,8H2,1H3
InChIKeyOFZFUKUXNXHNNV-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3,4-difluorophenyl)methylamino]propanoate
CID 43088323
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455
methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
methyl 4-[(3-methylphenyl)methylamino]butanoate
CID 60694757
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
CID 77029790
methyl 6-[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111875890
methyl 3-[(3-fluorophenyl)methylamino]-2-hydroxy-2-methylpropanoate
CID 113436474
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate
CID 82532910
ethyl 3-[(3-fluorophenyl)methylcarbamoylamino]propanoate
CID 108898601

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-fluorophenyl)methylamino]propanoate?
The IUPAC name of methyl 3-[(3-fluorophenyl)methylamino]propanoate (CID 43088302) is methyl 3-[(3-fluorophenyl)methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-fluorophenyl)methylamino]propanoate?
The canonical SMILES for methyl 3-[(3-fluorophenyl)methylamino]propanoate is COC(=O)CCNCc1cccc(F)c1.
What is the InChIKey of methyl 3-[(3-fluorophenyl)methylamino]propanoate?
The InChIKey is OFZFUKUXNXHNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-11(14)5-6-13-8-9-3-2-4-10(12)7-9/h2-4,7,13H,5-6,8H2,1H3.
What are the key properties of methyl 3-[(3-fluorophenyl)methylamino]propanoate?
methyl 3-[(3-fluorophenyl)methylamino]propanoate has a molecular weight of 211.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-fluorophenyl)methylamino]propanoate is sourced from PubChem (CID 43088302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).