methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate

C13H18FNO2 — CID 106489227

IUPACmethyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate
SMILESCOC(=O)C(CN)(CCCF)c1ccccc1
InChIInChI=1S/C13H18FNO2/c1-17-12(16)13(10-15,8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,15H2,1H3
InChIKeyYWWUXLGXUYLHSR-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.81
Rot. Bonds6

About methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate

methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate (PubChem CID 106489227) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate
PubChem CID106489227
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate
SMILESCOC(=O)C(CN)(CCCF)c1ccccc1
InChIInChI=1S/C13H18FNO2/c1-17-12(16)13(10-15,8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,15H2,1H3
InChIKeyYWWUXLGXUYLHSR-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(aminomethyl)-2-phenylhexanoate
CID 106489213
methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate
CID 106489257
ethyl 2-(aminomethyl)-6,6,6-trifluoro-2-phenylhexanoate
CID 106509552
methyl 2-(aminomethyl)-2-(4-fluorophenyl)nonanoate
CID 106490831
ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
CID 106509563
methyl 2-(aminomethyl)-3-(4-aminophenyl)-2-phenylpropanoate
CID 106489201
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362
methyl 2-(aminomethyl)-5-methoxy-2-(3-methylphenyl)pentanoate
CID 106509400
methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
CID 106509339
methyl 2-(aminomethyl)-6,6,6-trifluoro-2-(2-methylphenyl)hexanoate
CID 106509037
methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate
CID 105484464
methyl 2-(aminomethyl)-5,5-dimethyl-2-(4-methylphenyl)hexanoate
CID 106509351

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate?
The IUPAC name of methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate (CID 106489227) is methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate?
The canonical SMILES for methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate is COC(=O)C(CN)(CCCF)c1ccccc1.
What is the InChIKey of methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate?
The InChIKey is YWWUXLGXUYLHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-12(16)13(10-15,8-5-9-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,15H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate?
methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate has a molecular weight of 239.29 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate is sourced from PubChem (CID 106489227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).