N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline

C16H14Cl2N2 — CID 103428075

IUPACN-[2-(4,6-dichloroindol-1-yl)ethyl]aniline
SMILESClc1cc(Cl)c2ccn(CCNc3ccccc3)c2c1
InChIInChI=1S/C16H14Cl2N2/c17-12-10-15(18)14-6-8-20(16(14)11-12)9-7-19-13-4-2-1-3-5-13/h1-6,8,10-11,19H,7,9H2
InChIKeyIMLHUXGBZNKALV-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.06
Rot. Bonds4

About N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline

N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline (PubChem CID 103428075) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4,6-dichloroindol-1-yl)ethyl]aniline
PubChem CID103428075
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC NameN-[2-(4,6-dichloroindol-1-yl)ethyl]aniline
SMILESClc1cc(Cl)c2ccn(CCNc3ccccc3)c2c1
InChIInChI=1S/C16H14Cl2N2/c17-12-10-15(18)14-6-8-20(16(14)11-12)9-7-19-13-4-2-1-3-5-13/h1-6,8,10-11,19H,7,9H2
InChIKeyIMLHUXGBZNKALV-UHFFFAOYSA-N
XLogP5.06
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline?
The IUPAC name of N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline (CID 103428075) is N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline?
The canonical SMILES for N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline is Clc1cc(Cl)c2ccn(CCNc3ccccc3)c2c1.
What is the InChIKey of N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline?
The InChIKey is IMLHUXGBZNKALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c17-12-10-15(18)14-6-8-20(16(14)11-12)9-7-19-13-4-2-1-3-5-13/h1-6,8,10-11,19H,7,9H2.
What are the key properties of N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline?
N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline has a molecular weight of 305.21 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline is sourced from PubChem (CID 103428075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).