2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine

C15H21N3 — CID 82622295

IUPAC2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
SMILESCc1[nH]c2ccccc2c1C1CCN(CCN)C1
InChIInChI=1S/C15H21N3/c1-11-15(12-6-8-18(10-12)9-7-16)13-4-2-3-5-14(13)17-11/h2-5,12,17H,6-10,16H2,1H3
InChIKeyHEIQOBNXUOLYCN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.22
Rot. Bonds3

About 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine

2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine (PubChem CID 82622295) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
PubChem CID82622295
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
SMILESCc1[nH]c2ccccc2c1C1CCN(CCN)C1
InChIInChI=1S/C15H21N3/c1-11-15(12-6-8-18(10-12)9-7-16)13-4-2-3-5-14(13)17-11/h2-5,12,17H,6-10,16H2,1H3
InChIKeyHEIQOBNXUOLYCN-UHFFFAOYSA-N
XLogP2.22
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848
2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine
CID 82623529
4-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-3-methyl-2H-isoquinolin-1-one
CID 23084780
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
(2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile
CID 94393048
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087318
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
N-(3-methoxypropyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 60506168
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-2-methyl-1H-indole
CID 113087361

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine (CID 82622295) is 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine is Cc1[nH]c2ccccc2c1C1CCN(CCN)C1.
What is the InChIKey of 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine?
The InChIKey is HEIQOBNXUOLYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-15(12-6-8-18(10-12)9-7-16)13-4-2-3-5-14(13)17-11/h2-5,12,17H,6-10,16H2,1H3.
What are the key properties of 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine?
2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 82622295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).