2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

C15H19ClN2O — CID 63879209

IUPAC2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESClc1ccc2c(ccn2CCNCC2CCOC2)c1
InChIInChI=1S/C15H19ClN2O/c16-14-1-2-15-13(9-14)3-6-18(15)7-5-17-10-12-4-8-19-11-12/h1-3,6,9,12,17H,4-5,7-8,10-11H2
InChIKeyJFHCEIOHBVNDBC-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.92
Rot. Bonds5

About 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 63879209) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID63879209
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESClc1ccc2c(ccn2CCNCC2CCOC2)c1
InChIInChI=1S/C15H19ClN2O/c16-14-1-2-15-13(9-14)3-6-18(15)7-5-17-10-12-4-8-19-11-12/h1-3,6,9,12,17H,4-5,7-8,10-11H2
InChIKeyJFHCEIOHBVNDBC-UHFFFAOYSA-N
XLogP2.92
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 63879209) is 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is Clc1ccc2c(ccn2CCNCC2CCOC2)c1.
What is the InChIKey of 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is JFHCEIOHBVNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-14-1-2-15-13(9-14)3-6-18(15)7-5-17-10-12-4-8-19-11-12/h1-3,6,9,12,17H,4-5,7-8,10-11H2.
What are the key properties of 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 278.78 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 63879209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).