4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine

C159H194Cl2N18OS2 — CID 167625543

About 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine

4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine (PubChem CID 167625543) has the molecular formula C159H194Cl2N18OS2 and a molecular weight of 2508.47 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine
• PubChem CID: 167625543
• Molecular Formula: C159H194Cl2N18OS2
• Molecular Weight: 2508.47 g/mol
• Exact Mass: 2505.45
• IUPAC Name: 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine
• SMILES: CC(C)c1cc2c(Cl)cccc2s1.CC(C)c1cc2c(N)nccc2s1.CC(C)c1ccc2[nH]cc(Cl)c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(N)c[nH]c2c1.CC(C)c1ccc2c(N)cccc2c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cnc2c(c1)C=CC2.Cc1c(C(C)C)ccc2c(N)nccc12.Cc1c[nH]c2ncc(C(C)C)cc12.Cc1ccc2c(c1)OC(C(C)C)CN2.Cc1nccc2c1CCC2C(C)C
• InChI: InChI=1S/C13H16N2.C13H15N.C12H17NO.C12H17N.C12H14.C11H12ClN.C11H11ClS.3C11H14N2.2C11H13N.C10H12N2S.C10H12N2/c1-8(2)10-4-5-12-11(9(10)3)6-7-15-13(12)14;1-9(2)10-6-7-12-11(8-10)4-3-5-13(12)14;1-8(2)12-7-13-10-5-4-9(3)6-11(10)14-12;1-8(2)10-4-5-11-9(3)13-7-6-12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-7(2)8-3-4-11-9(5-8)10(12)6-13-11;1-7(2)11-6-8-9(12)4-3-5-10(8)13-11;1-7(2)9-4-10-8(3)5-12-11(10)13-6-9;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-7(2)8-3-4-9-10(12)6-13-11(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-6(2)9-5-7-8(13-9)3-4-12-10(7)11;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h4-8H,1-3H3,(H2,14,15);3-9H,14H2,1-2H3;4-6,8,12-13H,7H2,1-3H3;6-8,10H,4-5H2,1-3H3;3-5,7-9H,6H2,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3-7,13H,12H2,1-2H3;3-8,12H,1-2H3;3-4,6-8H,5H2,1-2H3;3-6H,1-2H3,(H2,11,12);3-7H,1-2H3,(H,11,12)
• InChIKey: NAVYOBVWHLQUPT-UHFFFAOYSA-N
• XLogP: 45.01
• TPSA: 299.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2508.47
LogP ≤ 5	45.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine?

The IUPAC name of 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine (CID 167625543) is 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine.

What is the SMILES notation for 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine?

The canonical SMILES for 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine is CC(C)c1cc2c(Cl)cccc2s1.CC(C)c1cc2c(N)nccc2s1.CC(C)c1ccc2[nH]cc(Cl)c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(N)c[nH]c2c1.CC(C)c1ccc2c(N)cccc2c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cnc2c(c1)C=CC2.Cc1c(C(C)C)ccc2c(N)nccc12.Cc1c[nH]c2ncc(C(C)C)cc12.Cc1ccc2c(c1)OC(C(C)C)CN2.Cc1nccc2c1CCC2C(C)C.

What is the InChIKey of 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine?

The InChIKey is NAVYOBVWHLQUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H15N.C12H17NO.C12H17N.C12H14.C11H12ClN.C11H11ClS.3C11H14N2.2C11H13N.C10H12N2S.C10H12N2/c1-8(2)10-4-5-12-11(9(10)3)6-7-15-13(12)14;1-9(2)10-6-7-12-11(8-10)4-3-5-13(12)14;1-8(2)12-7-13-10-5-4-9(3)6-11(10)14-12;1-8(2)10-4-5-11-9(3)13-7-6-12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-7(2)8-3-4-11-9(5-8)10(12)6-13-11;1-7(2)11-6-8-9(12)4-3-5-10(8)13-11;1-7(2)9-4-10-8(3)5-12-11(10)13-6-9;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-7(2)8-3-4-9-10(12)6-13-11(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-6(2)9-5-7-8(13-9)3-4-12-10(7)11;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h4-8H,1-3H3,(H2,14,15);3-9H,14H2,1-2H3;4-6,8,12-13H,7H2,1-3H3;6-8,10H,4-5H2,1-3H3;3-5,7-9H,6H2,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3-7,13H,12H2,1-2H3;3-8,12H,1-2H3;3-4,6-8H,5H2,1-2H3;3-6H,1-2H3,(H2,11,12);3-7H,1-2H3,(H,11,12).

What are the key properties of 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine?

4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine has a molecular weight of 2508.47 g/mol, XLogP of 45.01, 14 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-propan-2-yl-1-benzothiophene;3-chloro-5-propan-2-yl-1H-indole;7-methyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;1-methyl-5-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;1-methyl-5-propan-2-ylindazole;5-methyl-6-propan-2-ylisoquinolin-1-amine;3-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indol-3-amine;5-propan-2-yl-1H-indole;6-propan-2-ylnaphthalen-1-amine;2-propan-2-ylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 167625543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).