1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole

C25H32N2 — CID 166901128

IUPAC1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole
SMILESCC(C)N1Cc2ccc(CC(C)(C)c3cc4ccccc4n3C)cc2[C@H]1C
InChIInChI=1S/C25H32N2/c1-17(2)27-16-21-12-11-19(13-22(21)18(27)3)15-25(4,5)24-14-20-9-7-8-10-23(20)26(24)6/h7-14,17-18H,15-16H2,1-6H3/t18-/m1/s1
InChIKeyOXWSFJCJAVZBRZ-GOSISDBHSA-N
MW360.55 g/mol
LogP5.98
Rot. Bonds4

About 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole

1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole (PubChem CID 166901128) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole.

Molecular Properties

Compound Name1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole
PubChem CID166901128
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole
SMILESCC(C)N1Cc2ccc(CC(C)(C)c3cc4ccccc4n3C)cc2[C@H]1C
InChIInChI=1S/C25H32N2/c1-17(2)27-16-21-12-11-19(13-22(21)18(27)3)15-25(4,5)24-14-20-9-7-8-10-23(20)26(24)6/h7-14,17-18H,15-16H2,1-6H3/t18-/m1/s1
InChIKeyOXWSFJCJAVZBRZ-GOSISDBHSA-N
XLogP5.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole?
The IUPAC name of 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole (CID 166901128) is 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole.
What is the SMILES notation for 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole?
The canonical SMILES for 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole is CC(C)N1Cc2ccc(CC(C)(C)c3cc4ccccc4n3C)cc2[C@H]1C.
What is the InChIKey of 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole?
The InChIKey is OXWSFJCJAVZBRZ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H32N2/c1-17(2)27-16-21-12-11-19(13-22(21)18(27)3)15-25(4,5)24-14-20-9-7-8-10-23(20)26(24)6/h7-14,17-18H,15-16H2,1-6H3/t18-/m1/s1.
What are the key properties of 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole?
1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole has a molecular weight of 360.55 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-methyl-1-[(3R)-3-methyl-2-propan-2-yl-1,3-dihydroisoindol-5-yl]propan-2-yl]indole is sourced from PubChem (CID 166901128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).