3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid

C19H20N2O2 — CID 21249903

IUPAC3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid
SMILESCc1cc(C)cc(-c2[nH]c3ccc(C(=O)O)cc3c2CCN)c1
InChIInChI=1S/C19H20N2O2/c1-11-7-12(2)9-14(8-11)18-15(5-6-20)16-10-13(19(22)23)3-4-17(16)21-18/h3-4,7-10,21H,5-6,20H2,1-2H3,(H,22,23)
InChIKeyRNJBCKNEQGNOHA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.65
Rot. Bonds4

About 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid

3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid (PubChem CID 21249903) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid
PubChem CID21249903
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid
SMILESCc1cc(C)cc(-c2[nH]c3ccc(C(=O)O)cc3c2CCN)c1
InChIInChI=1S/C19H20N2O2/c1-11-7-12(2)9-14(8-11)18-15(5-6-20)16-10-13(19(22)23)3-4-17(16)21-18/h3-4,7-10,21H,5-6,20H2,1-2H3,(H,22,23)
InChIKeyRNJBCKNEQGNOHA-UHFFFAOYSA-N
XLogP3.65
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-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

2-(3,5-dimethylphenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-5-carboxylic acid
CID 22120674
3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
CID 67663685
3-(4-aminobutyl)-2-(2,6-dichlorophenyl)-1H-indole-5-carboxylic acid
CID 3450980
3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-1H-indole-5-carboxylic acid
CID 3934943
3-(carboxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid
CID 3956737
3-(4-aminobutyl)-2-(2-bromophenyl)-1H-indole-5-carboxylic acid
CID 3883431
2-[3-(4-aminobutyl)-2-(3-methylphenyl)-1H-indol-5-yl]acetic acid
CID 5027955
4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3998178
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
2-[3-(4-aminobutyl)-2-[4-(dimethylamino)phenyl]-1H-indol-5-yl]acetic acid
CID 5167413
2-[3-(4-aminobutyl)-2-(4-tert-butylphenyl)-1H-indol-5-yl]acetic acid
CID 3972903
2-[2-(3,5-dimethylphenyl)-3-ethyl-1H-indol-5-yl]-2-methylpropanal
CID 57005944

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid (CID 21249903) is 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid is Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)O)cc3c2CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid?
The InChIKey is RNJBCKNEQGNOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-11-7-12(2)9-14(8-11)18-15(5-6-20)16-10-13(19(22)23)3-4-17(16)21-18/h3-4,7-10,21H,5-6,20H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid?
3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 21249903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).