3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole

C21H24N2O2 — CID 155258071

IUPAC3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
SMILESCOc1ccc(C2CCN(Cc3c[nH]c4ccccc34)C2)cc1OC
InChIInChI=1S/C21H24N2O2/c1-24-20-8-7-15(11-21(20)25-2)16-9-10-23(13-16)14-17-12-22-19-6-4-3-5-18(17)19/h3-8,11-12,16,22H,9-10,13-14H2,1-2H3
InChIKeyYHNDDKZXFUNKMZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.17
Rot. Bonds5

About 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole

3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole (PubChem CID 155258071) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
PubChem CID155258071
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
SMILESCOc1ccc(C2CCN(Cc3c[nH]c4ccccc34)C2)cc1OC
InChIInChI=1S/C21H24N2O2/c1-24-20-8-7-15(11-21(20)25-2)16-9-10-23(13-16)14-17-12-22-19-6-4-3-5-18(17)19/h3-8,11-12,16,22H,9-10,13-14H2,1-2H3
InChIKeyYHNDDKZXFUNKMZ-UHFFFAOYSA-N
XLogP4.17
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenethiol
CID 155258161
3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 155258172
deuterioethane;3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[[3-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole;tribromoborane
CID 158056167
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide
CID 155258130
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
3-[4-[3-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
CID 70044868
(3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366083
3-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole;oxalic acid
CID 17366831
3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
CID 70046463
4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 155258244
3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole
CID 124970706

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole (CID 155258071) is 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole is COc1ccc(C2CCN(Cc3c[nH]c4ccccc34)C2)cc1OC.
What is the InChIKey of 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole?
The InChIKey is YHNDDKZXFUNKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-24-20-8-7-15(11-21(20)25-2)16-9-10-23(13-16)14-17-12-22-19-6-4-3-5-18(17)19/h3-8,11-12,16,22H,9-10,13-14H2,1-2H3.
What are the key properties of 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole?
3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole has a molecular weight of 336.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 155258071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).