2-(7-methyl-1H-indol-3-yl)ethanamine chloride

C11H14ClN2- — CID 53351005

IUPAC2-(7-methyl-1H-indol-3-yl)ethanamine chloride
SMILESCc1cccc2c(CCN)c[nH]c12.[Cl-]
InChIInChI=1S/C11H14N2.ClH/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;/h2-4,7,13H,5-6,12H2,1H3;1H/p-1
InChIKeyXXXLVXQSFKCFAL-UHFFFAOYSA-M
MW209.70 g/mol
LogP-1.02
Rot. Bonds2

About 2-(7-methyl-1H-indol-3-yl)ethanamine chloride

2-(7-methyl-1H-indol-3-yl)ethanamine chloride (PubChem CID 53351005) has the molecular formula C11H14ClN2- and a molecular weight of 209.70 g/mol. Its IUPAC name is 2-(7-methyl-1H-indol-3-yl)ethanamine chloride.

Molecular Properties

Compound Name2-(7-methyl-1H-indol-3-yl)ethanamine chloride
PubChem CID53351005
Molecular FormulaC11H14ClN2-
Molecular Weight209.70 g/mol
Exact Mass209.09
IUPAC Name2-(7-methyl-1H-indol-3-yl)ethanamine chloride
SMILESCc1cccc2c(CCN)c[nH]c12.[Cl-]
InChIInChI=1S/C11H14N2.ClH/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;/h2-4,7,13H,5-6,12H2,1H3;1H/p-1
InChIKeyXXXLVXQSFKCFAL-UHFFFAOYSA-M
XLogP-1.02
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1H-indol-3-yl)ethanamine chloride?
The IUPAC name of 2-(7-methyl-1H-indol-3-yl)ethanamine chloride (CID 53351005) is 2-(7-methyl-1H-indol-3-yl)ethanamine chloride.
What is the SMILES notation for 2-(7-methyl-1H-indol-3-yl)ethanamine chloride?
The canonical SMILES for 2-(7-methyl-1H-indol-3-yl)ethanamine chloride is Cc1cccc2c(CCN)c[nH]c12.[Cl-].
What is the InChIKey of 2-(7-methyl-1H-indol-3-yl)ethanamine chloride?
The InChIKey is XXXLVXQSFKCFAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2.ClH/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;/h2-4,7,13H,5-6,12H2,1H3;1H/p-1.
What are the key properties of 2-(7-methyl-1H-indol-3-yl)ethanamine chloride?
2-(7-methyl-1H-indol-3-yl)ethanamine chloride has a molecular weight of 209.70 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1H-indol-3-yl)ethanamine chloride is sourced from PubChem (CID 53351005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).