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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Related Compounds

methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate
CID 20616859
butyl 6-methoxy-3-phenyl-1H-indene-2-carboxylate
CID 11324732
7,7-dimethyl-2-[2-(methylaminomethyl)phenyl]-6,8-dihydro-5H-naphthalene-1-carboxylic acid
CID 130399064
N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propanamide
CID 56706716
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(3-methoxyphenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613239
ethyl 6-methoxy-3-(N-propanoylanilino)-1H-indene-2-carboxylate
CID 90746554
(Z)-but-2-enedioic acid;1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 20841316
(E)-but-2-enedioic acid;1-[2-(2,5-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 6449749
N-(9H-fluoren-3-yl)-2-(2-methoxyphenyl)acetamide
CID 8699315
(7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone
CID 102169217
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600896

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).