2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid

C13H17NO2 — CID 105474204

IUPAC2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCN(C)c1ccc2c(c1)C(CC(=O)O)CC2
InChIInChI=1S/C13H17NO2/c1-14(2)11-6-5-9-3-4-10(7-13(15)16)12(9)8-11/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyUAMRMLVJYGVONC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.26
Rot. Bonds3

About 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 105474204) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID105474204
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCN(C)c1ccc2c(c1)C(CC(=O)O)CC2
InChIInChI=1S/C13H17NO2/c1-14(2)11-6-5-9-3-4-10(7-13(15)16)12(9)8-11/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyUAMRMLVJYGVONC-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 83824130
3-(2-aminoethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-5-amine
CID 105456837
2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 70287298
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
2-[5-[4-(dimethylamino)phenoxy]-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 68858871
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 123427549
2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 167714702
ethane;methane;2-(5-propylsulfonyl-2,3-dihydro-1H-inden-1-yl)acetic acid;2-(6-propylsulfonyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 160917368
2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 82543452
2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 82543388
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
CID 110649611
N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504860

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 105474204) is 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid is CN(C)c1ccc2c(c1)C(CC(=O)O)CC2.
What is the InChIKey of 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is UAMRMLVJYGVONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14(2)11-6-5-9-3-4-10(7-13(15)16)12(9)8-11/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 219.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 105474204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).