2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole

C20H21FN2 — CID 59920997

IUPAC2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole
SMILESFc1cccc(-c2[nH]c3ccccc3c2CCN2CCCC2)c1
InChIInChI=1S/C20H21FN2/c21-16-7-5-6-15(14-16)20-18(10-13-23-11-3-4-12-23)17-8-1-2-9-19(17)22-20/h1-2,5-9,14,22H,3-4,10-13H2
InChIKeyACZMZSZYHFOSFJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.61
Rot. Bonds4

About 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole

2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole (PubChem CID 59920997) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole
PubChem CID59920997
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole
SMILESFc1cccc(-c2[nH]c3ccccc3c2CCN2CCCC2)c1
InChIInChI=1S/C20H21FN2/c21-16-7-5-6-15(14-16)20-18(10-13-23-11-3-4-12-23)17-8-1-2-9-19(17)22-20/h1-2,5-9,14,22H,3-4,10-13H2
InChIKeyACZMZSZYHFOSFJ-UHFFFAOYSA-N
XLogP4.61
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
Tryptamine
CID 1150
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Tetrahydro-beta-carboline
CID 107838
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
2-Methylindole
CID 7224

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The IUPAC name of 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole (CID 59920997) is 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The canonical SMILES for 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole is Fc1cccc(-c2[nH]c3ccccc3c2CCN2CCCC2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The InChIKey is ACZMZSZYHFOSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c21-16-7-5-6-15(14-16)20-18(10-13-23-11-3-4-12-23)17-8-1-2-9-19(17)22-20/h1-2,5-9,14,22H,3-4,10-13H2.
What are the key properties of 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole has a molecular weight of 308.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole is sourced from PubChem (CID 59920997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).