6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid

C19H19NO3 — CID 160700486

IUPAC6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid
SMILESCNCc1ccccc1C1=C(C(=O)O)Cc2cc(OC)ccc21
InChIInChI=1S/C19H19NO3/c1-20-11-12-5-3-4-6-15(12)18-16-8-7-14(23-2)9-13(16)10-17(18)19(21)22/h3-9,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyRQOAQXGJKSDCHN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.86
Rot. Bonds5

About 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid

6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid (PubChem CID 160700486) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid
PubChem CID160700486
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid
SMILESCNCc1ccccc1C1=C(C(=O)O)Cc2cc(OC)ccc21
InChIInChI=1S/C19H19NO3/c1-20-11-12-5-3-4-6-15(12)18-16-8-7-14(23-2)9-13(16)10-17(18)19(21)22/h3-9,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyRQOAQXGJKSDCHN-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid?
The IUPAC name of 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid (CID 160700486) is 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid?
The canonical SMILES for 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid is CNCc1ccccc1C1=C(C(=O)O)Cc2cc(OC)ccc21.
What is the InChIKey of 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid?
The InChIKey is RQOAQXGJKSDCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-20-11-12-5-3-4-6-15(12)18-16-8-7-14(23-2)9-13(16)10-17(18)19(21)22/h3-9,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid?
6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[2-(methylaminomethyl)phenyl]-1H-indene-2-carboxylic acid is sourced from PubChem (CID 160700486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).