5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole

C24H30N2O — CID 176854720

IUPAC5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3Cc3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C24H30N2O/c1-17(2)19-8-6-18(7-9-19)16-26-12-4-5-21(26)13-20-15-25-24-11-10-22(27-3)14-23(20)24/h6-11,14-15,17,21,25H,4-5,12-13,16H2,1-3H3/t21-/m1/s1
InChIKeyBZYQLEHAGCWGNE-OAQYLSRUSA-N
MW362.52 g/mol
LogP5.51
Rot. Bonds6

About 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole

5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 176854720) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID176854720
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3Cc3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C24H30N2O/c1-17(2)19-8-6-18(7-9-19)16-26-12-4-5-21(26)13-20-15-25-24-11-10-22(27-3)14-23(20)24/h6-11,14-15,17,21,25H,4-5,12-13,16H2,1-3H3/t21-/m1/s1
InChIKeyBZYQLEHAGCWGNE-OAQYLSRUSA-N
XLogP5.51
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole with MolForge

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Related Compounds

3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854698
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 177026458
3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854864
CID 177026586
CID 177026586
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
formaldehyde;4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine
CID 177026451
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine;2,2,2-trifluoroacetaldehyde
CID 177026595
2-[4-[(2R)-2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]butyl]-3H-isoindol-1-one
CID 176854861
3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole
CID 177026521

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole (CID 176854720) is 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole is COc1ccc2[nH]cc(C[C@H]3CCCN3Cc3ccc(C(C)C)cc3)c2c1.
What is the InChIKey of 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is BZYQLEHAGCWGNE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O/c1-17(2)19-8-6-18(7-9-19)16-26-12-4-5-21(26)13-20-15-25-24-11-10-22(27-3)14-23(20)24/h6-11,14-15,17,21,25H,4-5,12-13,16H2,1-3H3/t21-/m1/s1.
What are the key properties of 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole?
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 362.52 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 176854720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).