2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

C15H20N2O — CID 78914442

IUPAC2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCC3CCCO3)c[nH]c2c1
InChIInChI=1S/C15H20N2O/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13/h1-2,5-6,10,13,16-17H,3-4,7-9,11H2
InChIKeyBNOAPHMYWPGHSF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.48
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 78914442) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID78914442
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCC3CCCO3)c[nH]c2c1
InChIInChI=1S/C15H20N2O/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13/h1-2,5-6,10,13,16-17H,3-4,7-9,11H2
InChIKeyBNOAPHMYWPGHSF-UHFFFAOYSA-N
XLogP2.48
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine 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

N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386648
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
CID 62065957
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8653138
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 110997142
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119956844
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 78914442) is 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is c1ccc2c(CCNCC3CCCO3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is BNOAPHMYWPGHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13/h1-2,5-6,10,13,16-17H,3-4,7-9,11H2.
What are the key properties of 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 78914442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).