2-(5,6-dichloro-1H-indol-3-yl)ethanamine

C10H10Cl2N2 — CID 13301690

IUPAC2-(5,6-dichloro-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C10H10Cl2N2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1-2,13H2
InChIKeyDQVUNGNCQVDVHD-UHFFFAOYSA-N
MW229.11 g/mol
LogP2.98
Rot. Bonds2

About 2-(5,6-dichloro-1H-indol-3-yl)ethanamine

2-(5,6-dichloro-1H-indol-3-yl)ethanamine (PubChem CID 13301690) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 2-(5,6-dichloro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5,6-dichloro-1H-indol-3-yl)ethanamine
PubChem CID13301690
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name2-(5,6-dichloro-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C10H10Cl2N2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1-2,13H2
InChIKeyDQVUNGNCQVDVHD-UHFFFAOYSA-N
XLogP2.98
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5,6-dichloro-1H-indol-3-yl)ethanamine (CID 13301690) is 2-(5,6-dichloro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5,6-dichloro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5,6-dichloro-1H-indol-3-yl)ethanamine is NCCc1c[nH]c2cc(Cl)c(Cl)cc12.
What is the InChIKey of 2-(5,6-dichloro-1H-indol-3-yl)ethanamine?
The InChIKey is DQVUNGNCQVDVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1-2,13H2.
What are the key properties of 2-(5,6-dichloro-1H-indol-3-yl)ethanamine?
2-(5,6-dichloro-1H-indol-3-yl)ethanamine has a molecular weight of 229.11 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 13301690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).