1-(3-chlorophenyl)-2,2,3,3-tetramethylindole

C18H20ClN — CID 166015344

IUPAC1-(3-chlorophenyl)-2,2,3,3-tetramethylindole
SMILESCC1(C)c2ccccc2N(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C18H20ClN/c1-17(2)15-10-5-6-11-16(15)20(18(17,3)4)14-9-7-8-13(19)12-14/h5-12H,1-4H3
InChIKeyYJAASGLPJJXZIK-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.55
Rot. Bonds1

About 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole

1-(3-chlorophenyl)-2,2,3,3-tetramethylindole (PubChem CID 166015344) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2,2,3,3-tetramethylindole
PubChem CID166015344
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-(3-chlorophenyl)-2,2,3,3-tetramethylindole
SMILESCC1(C)c2ccccc2N(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C18H20ClN/c1-17(2)15-10-5-6-11-16(15)20(18(17,3)4)14-9-7-8-13(19)12-14/h5-12H,1-4H3
InChIKeyYJAASGLPJJXZIK-UHFFFAOYSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole 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

1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole
CID 140914152
1-[9,10-dipyridin-2-yl-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole
CID 140914156
5-(2-chlorophenyl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79499638
(2R,5R)-3-(3-chlorophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586572
1-(3-chlorophenyl)-8b-hydroxy-3a-methylindeno[1,2-d]triazol-4-one
CID 10403335
4-(3-chlorophenyl)-3,3-dimethyl-1,4-diazepan-5-one
CID 117023493
1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one
CID 161144406
6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
CID 129120407
1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one
CID 14209559
1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]spiro[4,7-dihydro-1,3-dioxepine-2,3'-indole]-2'-one
CID 17138660
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
(2S)-3-(3-chlorophenyl)-1'-[(2-methylphenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 41434943

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole?
The IUPAC name of 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole (CID 166015344) is 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole.
What is the SMILES notation for 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole?
The canonical SMILES for 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole is CC1(C)c2ccccc2N(c2cccc(Cl)c2)C1(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole?
The InChIKey is YJAASGLPJJXZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-17(2)15-10-5-6-11-16(15)20(18(17,3)4)14-9-7-8-13(19)12-14/h5-12H,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole?
1-(3-chlorophenyl)-2,2,3,3-tetramethylindole has a molecular weight of 285.82 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2,2,3,3-tetramethylindole is sourced from PubChem (CID 166015344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).