2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine

C11H13ClN2O — CID 18947310

IUPAC2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1cc2c(CCN)c[nH]c2cc1Cl
InChIInChI=1S/C11H13ClN2O/c1-15-11-4-8-7(2-3-13)6-14-10(8)5-9(11)12/h4-6,14H,2-3,13H2,1H3
InChIKeyCCTPUEOJGKAFCF-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.33
Rot. Bonds3

About 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine

2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine (PubChem CID 18947310) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine
PubChem CID18947310
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1cc2c(CCN)c[nH]c2cc1Cl
InChIInChI=1S/C11H13ClN2O/c1-15-11-4-8-7(2-3-13)6-14-10(8)5-9(11)12/h4-6,14H,2-3,13H2,1H3
InChIKeyCCTPUEOJGKAFCF-UHFFFAOYSA-N
XLogP2.33
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine (CID 18947310) is 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine is COc1cc2c(CCN)c[nH]c2cc1Cl.
What is the InChIKey of 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine?
The InChIKey is CCTPUEOJGKAFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-15-11-4-8-7(2-3-13)6-14-10(8)5-9(11)12/h4-6,14H,2-3,13H2,1H3.
What are the key properties of 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine?
2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine has a molecular weight of 224.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 18947310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).