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

C18H26N2O — CID 178091784

IUPAC5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole
SMILESCOc1ccc2[nH]c(C(C)C)c(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C18H26N2O/c1-12(2)18-16(10-13-6-5-9-20(13)3)15-11-14(21-4)7-8-17(15)19-18/h7-8,11-13,19H,5-6,9-10H2,1-4H3/t13-/m1/s1
InChIKeySQPCNFBGNCJEKI-CYBMUJFWSA-N
MW286.42 g/mol
LogP3.94
Rot. Bonds4

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

5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole (PubChem CID 178091784) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole
PubChem CID178091784
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole
SMILESCOc1ccc2[nH]c(C(C)C)c(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C18H26N2O/c1-12(2)18-16(10-13-6-5-9-20(13)3)15-11-14(21-4)7-8-17(15)19-18/h7-8,11-13,19H,5-6,9-10H2,1-4H3/t13-/m1/s1
InChIKeySQPCNFBGNCJEKI-CYBMUJFWSA-N
XLogP3.94
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091739
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-3-yl-1H-indole
CID 178091733
5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
CID 178091609
5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091704
5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091791
2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84741788
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 84582403
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
CID 21313343
[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 84580768
5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole?
The IUPAC name of 5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole (CID 178091784) is 5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole.
What is the SMILES notation for 5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole?
The canonical SMILES for 5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole is COc1ccc2[nH]c(C(C)C)c(C[C@H]3CCCN3C)c2c1.
What is the InChIKey of 5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole?
The InChIKey is SQPCNFBGNCJEKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)18-16(10-13-6-5-9-20(13)3)15-11-14(21-4)7-8-17(15)19-18/h7-8,11-13,19H,5-6,9-10H2,1-4H3/t13-/m1/s1.
What are the key properties of 5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole?
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole has a molecular weight of 286.42 g/mol, XLogP of 3.94, 4 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-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole is sourced from PubChem (CID 178091784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).