2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride

C10H12Cl2N2 — CID 2827494

IUPAC2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H11ClN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H
InChIKeyPBANXRNIXGEHPZ-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.74
Rot. Bonds2

About 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride

2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 2827494) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID2827494
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H11ClN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H
InChIKeyPBANXRNIXGEHPZ-UHFFFAOYSA-N
XLogP2.74
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride (CID 2827494) is 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride is Cl.NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is PBANXRNIXGEHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride?
2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 231.13 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 2827494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).