1-(2-phenylethyl)indole

C16H15N — CID 12601752

IUPAC1-(2-phenylethyl)indole
SMILESc1ccc(CCn2ccc3ccccc32)cc1
InChIInChI=1S/C16H15N/c1-2-6-14(7-3-1)10-12-17-13-11-15-8-4-5-9-16(15)17/h1-9,11,13H,10,12H2
InChIKeyAUHQAAVJJYGEIU-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.88
Rot. Bonds3

About 1-(2-phenylethyl)indole

1-(2-phenylethyl)indole (PubChem CID 12601752) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-phenylethyl)indole.

Molecular Properties

Compound Name1-(2-phenylethyl)indole
PubChem CID12601752
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name1-(2-phenylethyl)indole
SMILESc1ccc(CCn2ccc3ccccc32)cc1
InChIInChI=1S/C16H15N/c1-2-6-14(7-3-1)10-12-17-13-11-15-8-4-5-9-16(15)17/h1-9,11,13H,10,12H2
InChIKeyAUHQAAVJJYGEIU-UHFFFAOYSA-N
XLogP3.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-phenylethyl)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

methanamine;1-(2-phenylethyl)indole
CID 144619116
CID 58655955
CID 58655955
1-(2-fluoroethyl)indole
CID 80694500
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972
1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
CID 67260198
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-iodopropyl)indole
CID 11323600
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(3-fluoropropyl)indole
CID 81113690
acetic acid;1-butylindole
CID 162326365
4-ethyl-1-(2-phenylethyl)indole
CID 143158245

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)indole?
The IUPAC name of 1-(2-phenylethyl)indole (CID 12601752) is 1-(2-phenylethyl)indole.
What is the SMILES notation for 1-(2-phenylethyl)indole?
The canonical SMILES for 1-(2-phenylethyl)indole is c1ccc(CCn2ccc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenylethyl)indole?
The InChIKey is AUHQAAVJJYGEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-2-6-14(7-3-1)10-12-17-13-11-15-8-4-5-9-16(15)17/h1-9,11,13H,10,12H2.
What are the key properties of 1-(2-phenylethyl)indole?
1-(2-phenylethyl)indole has a molecular weight of 221.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)indole is sourced from PubChem (CID 12601752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).