2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid

C13H17NO2 — CID 82236410

IUPAC2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCN(C)C1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C13H17NO2/c1-3-14(2)13(12(15)16)8-10-6-4-5-7-11(10)9-13/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyPUACTUUEVHOFMA-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.56
Rot. Bonds3

About 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid

2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 82236410) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID82236410
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCN(C)C1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C13H17NO2/c1-3-14(2)13(12(15)16)8-10-6-4-5-7-11(10)9-13/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyPUACTUUEVHOFMA-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 114989685
2-[ethyl(formyl)amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 55231808
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone
CID 25301333
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 28957486
N-[2-(dimethylamino)ethyl]-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56912729
2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide
CID 56909077
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
2-ethyl-1H-naphthalene-2-carboxylic acid
CID 152740834
[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
CID 56896500
N-(2-hydroxypropyl)-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56892980

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 82236410) is 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid is CCN(C)C1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is PUACTUUEVHOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14(2)13(12(15)16)8-10-6-4-5-7-11(10)9-13/h4-7H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 82236410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).