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

C10H11Cl2N2- — CID 43829444

IUPAC2-(5-chloro-1H-indol-3-yl)ethanamine chloride
SMILESNCCc1c[nH]c2ccc(Cl)cc12.[Cl-]
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/p-1
InChIKeyPBANXRNIXGEHPZ-UHFFFAOYSA-M
MW230.12 g/mol
LogP-0.67
Rot. Bonds2

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

2-(5-chloro-1H-indol-3-yl)ethanamine chloride (PubChem CID 43829444) has the molecular formula C10H11Cl2N2- and a molecular weight of 230.12 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)ethanamine chloride.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)ethanamine chloride
PubChem CID43829444
Molecular FormulaC10H11Cl2N2-
Molecular Weight230.12 g/mol
Exact Mass229.03
IUPAC Name2-(5-chloro-1H-indol-3-yl)ethanamine chloride
SMILESNCCc1c[nH]c2ccc(Cl)cc12.[Cl-]
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/p-1
InChIKeyPBANXRNIXGEHPZ-UHFFFAOYSA-M
XLogP-0.67
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
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2-(5-bromo-1H-indol-3-yl)ethanamine;methane
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4-(5-chloro-1H-indol-3-yl)butan-2-one
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2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
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2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
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2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
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3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)ethanamine chloride?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)ethanamine chloride (CID 43829444) is 2-(5-chloro-1H-indol-3-yl)ethanamine chloride.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)ethanamine chloride?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)ethanamine chloride is NCCc1c[nH]c2ccc(Cl)cc12.[Cl-].
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)ethanamine chloride?
The InChIKey is PBANXRNIXGEHPZ-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)ethanamine chloride?
2-(5-chloro-1H-indol-3-yl)ethanamine chloride has a molecular weight of 230.12 g/mol, XLogP of -0.67, 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 chloride is sourced from PubChem (CID 43829444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).