methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate

C10H12FNO2 — CID 168967056

IUPACmethyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate
SMILESCOC(=O)Cc1cc(F)ccc1CN
InChIInChI=1S/C10H12FNO2/c1-14-10(13)5-8-4-9(11)3-2-7(8)6-12/h2-4H,5-6,12H2,1H3
InChIKeyQELJYONTTPFUDR-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.00
Rot. Bonds3

About methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate

methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate (PubChem CID 168967056) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate
PubChem CID168967056
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Namemethyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate
SMILESCOC(=O)Cc1cc(F)ccc1CN
InChIInChI=1S/C10H12FNO2/c1-14-10(13)5-8-4-9(11)3-2-7(8)6-12/h2-4H,5-6,12H2,1H3
InChIKeyQELJYONTTPFUDR-UHFFFAOYSA-N
XLogP1.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate?
The IUPAC name of methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate (CID 168967056) is methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate.
What is the SMILES notation for methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate?
The canonical SMILES for methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate is COC(=O)Cc1cc(F)ccc1CN.
What is the InChIKey of methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate?
The InChIKey is QELJYONTTPFUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-14-10(13)5-8-4-9(11)3-2-7(8)6-12/h2-4H,5-6,12H2,1H3.
What are the key properties of methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate?
methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate has a molecular weight of 197.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(aminomethyl)-5-fluorophenyl]acetate is sourced from PubChem (CID 168967056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).