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

C16H20Cl2N2O — CID 103428056

IUPACN-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCn1ccc2c(Cl)cc(Cl)cc21)C1CCCO1
InChIInChI=1S/C16H20Cl2N2O/c1-11(16-3-2-8-21-16)19-5-7-20-6-4-13-14(18)9-12(17)10-15(13)20/h4,6,9-11,16,19H,2-3,5,7-8H2,1H3
InChIKeyIBTJYNNVINOAIK-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.11
Rot. Bonds5

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

N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 103428056) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID103428056
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC NameN-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCn1ccc2c(Cl)cc(Cl)cc21)C1CCCO1
InChIInChI=1S/C16H20Cl2N2O/c1-11(16-3-2-8-21-16)19-5-7-20-6-4-13-14(18)9-12(17)10-15(13)20/h4,6,9-11,16,19H,2-3,5,7-8H2,1H3
InChIKeyIBTJYNNVINOAIK-UHFFFAOYSA-N
XLogP4.11
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 103428056) is N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is CC(NCCn1ccc2c(Cl)cc(Cl)cc21)C1CCCO1.
What is the InChIKey of N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is IBTJYNNVINOAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-11(16-3-2-8-21-16)19-5-7-20-6-4-13-14(18)9-12(17)10-15(13)20/h4,6,9-11,16,19H,2-3,5,7-8H2,1H3.
What are the key properties of N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 327.25 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 103428056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).