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

C11H13ClN2 — CID 601380

IUPAC2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(Cl)cccc2c1CCN
InChIInChI=1S/C11H13ClN2/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-4,14H,5-6,13H2,1H3
InChIKeyONHHERXYVWROCY-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.63
Rot. Bonds2

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

2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 601380) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID601380
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(Cl)cccc2c1CCN
InChIInChI=1S/C11H13ClN2/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-4,14H,5-6,13H2,1H3
InChIKeyONHHERXYVWROCY-UHFFFAOYSA-N
XLogP2.63
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine (CID 601380) is 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2c(Cl)cccc2c1CCN.
What is the InChIKey of 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is ONHHERXYVWROCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-4,14H,5-6,13H2,1H3.
What are the key properties of 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine?
2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 208.69 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 601380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).