2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid

C14H17NO2 — CID 58168725

IUPAC2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid
SMILESCNCCC1=C(C)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17NO2/c1-9-7-11-8-10(14(16)17)3-4-13(11)12(9)5-6-15-2/h3-4,8,15H,5-7H2,1-2H3,(H,16,17)
InChIKeyONBISPVAZMXFMK-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid

2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid (PubChem CID 58168725) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid
PubChem CID58168725
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid
SMILESCNCCC1=C(C)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17NO2/c1-9-7-11-8-10(14(16)17)3-4-13(11)12(9)5-6-15-2/h3-4,8,15H,5-7H2,1-2H3,(H,16,17)
InChIKeyONBISPVAZMXFMK-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic 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

4-[(S)-amino(carboxy)methyl]-3-methylbenzoic acid
CID 5311261
(R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-isobutylbiphenyl-4-carboxylic acid
CID 10002049
4-(2-Aminoethyl)benzoic acid
CID 506066
2-[4-[(Pentanoylamino)methyl]phenyl]benzoic acid
CID 144527428
1,2,3,4-Tetrahydro-Isoquinoline-7-Carboxylic Acid
CID 4178308
4-(Piperidin-4-yl)benzoic acid
CID 18002462
4-(Piperidin-4-YL)benzoic acid hydrochloride
CID 19381764
1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)
CID 102377
3-[4-(2-Acetamidoethyl)phenyl]benzoic acid
CID 131955102
4-[[(3,4-Dimethylbenzoyl)amino]methyl]benzoic acid
CID 17171885
4-[[(4-Tert-butylbenzoyl)amino]methyl]-3-methylbenzoic acid
CID 137651853
4-[[(4-Tert-butylbenzoyl)amino]methyl]-2-methylbenzoic acid
CID 137651997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid (CID 58168725) is 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid is CNCCC1=C(C)Cc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid?
The InChIKey is ONBISPVAZMXFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-7-11-8-10(14(16)17)3-4-13(11)12(9)5-6-15-2/h3-4,8,15H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid?
2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(methylamino)ethyl]-3H-indene-5-carboxylic acid is sourced from PubChem (CID 58168725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).