3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole

C20H22N2O — CID 102365176

IUPAC3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
SMILESCOc1ccccc1C(c1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C20H22N2O/c1-23-19-11-5-3-9-16(19)20(22-12-6-7-13-22)17-14-21-18-10-4-2-8-15(17)18/h2-5,8-11,14,20-21H,6-7,12-13H2,1H3
InChIKeyYNUCGLACVMPEGQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.36
Rot. Bonds4

About 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole

3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole (PubChem CID 102365176) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
PubChem CID102365176
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
SMILESCOc1ccccc1C(c1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C20H22N2O/c1-23-19-11-5-3-9-16(19)20(22-12-6-7-13-22)17-14-21-18-10-4-2-8-15(17)18/h2-5,8-11,14,20-21H,6-7,12-13H2,1H3
InChIKeyYNUCGLACVMPEGQ-UHFFFAOYSA-N
XLogP4.36
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole
CID 710739
4-[1H-indol-3-yl(piperidin-1-yl)methyl]-N,N-dimethylaniline
CID 110453280
[4-[1H-indol-3-yl(pyrrolidin-1-yl)methyl]phenyl] acetate
CID 110453316
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
(2S,3R)-2-hydroxy-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 26367394
[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium
CID 7061229
3-[(R)-(2-methoxyphenyl)-[4-[(S)-(2-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1H-indole
CID 98146114
2-methoxy-6-[(2-methyl-1H-indol-3-yl)-piperidin-1-ylmethyl]phenol
CID 110453411
3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 2552209
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 71469809
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole
CID 110453205

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole?
The IUPAC name of 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole (CID 102365176) is 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole.
What is the SMILES notation for 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole?
The canonical SMILES for 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole is COc1ccccc1C(c1c[nH]c2ccccc12)N1CCCC1.
What is the InChIKey of 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole?
The InChIKey is YNUCGLACVMPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-23-19-11-5-3-9-16(19)20(22-12-6-7-13-22)17-14-21-18-10-4-2-8-15(17)18/h2-5,8-11,14,20-21H,6-7,12-13H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole?
3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole has a molecular weight of 306.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole is sourced from PubChem (CID 102365176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).