methyl 2-[3-(2-aminopropyl)phenyl]acetate

C12H17NO2 — CID 14517269

IUPACmethyl 2-[3-(2-aminopropyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(CC(C)N)c1
InChIInChI=1S/C12H17NO2/c1-9(13)6-10-4-3-5-11(7-10)8-12(14)15-2/h3-5,7,9H,6,8,13H2,1-2H3
InChIKeyHJPHWPILRQHHBR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-[3-(2-aminopropyl)phenyl]acetate

methyl 2-[3-(2-aminopropyl)phenyl]acetate (PubChem CID 14517269) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-[3-(2-aminopropyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-aminopropyl)phenyl]acetate
PubChem CID14517269
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-[3-(2-aminopropyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(CC(C)N)c1
InChIInChI=1S/C12H17NO2/c1-9(13)6-10-4-3-5-11(7-10)8-12(14)15-2/h3-5,7,9H,6,8,13H2,1-2H3
InChIKeyHJPHWPILRQHHBR-UHFFFAOYSA-N
XLogP1.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-aminopropyl)phenyl]acetate?
The IUPAC name of methyl 2-[3-(2-aminopropyl)phenyl]acetate (CID 14517269) is methyl 2-[3-(2-aminopropyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-(2-aminopropyl)phenyl]acetate?
The canonical SMILES for methyl 2-[3-(2-aminopropyl)phenyl]acetate is COC(=O)Cc1cccc(CC(C)N)c1.
What is the InChIKey of methyl 2-[3-(2-aminopropyl)phenyl]acetate?
The InChIKey is HJPHWPILRQHHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13)6-10-4-3-5-11(7-10)8-12(14)15-2/h3-5,7,9H,6,8,13H2,1-2H3.
What are the key properties of methyl 2-[3-(2-aminopropyl)phenyl]acetate?
methyl 2-[3-(2-aminopropyl)phenyl]acetate has a molecular weight of 207.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-aminopropyl)phenyl]acetate is sourced from PubChem (CID 14517269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).