2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine

C13H20N2 — CID 117204145

IUPAC2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine
SMILESCCN1CC(C)c2cccc(CCN)c21
InChIInChI=1S/C13H20N2/c1-3-15-9-10(2)12-6-4-5-11(7-8-14)13(12)15/h4-6,10H,3,7-9,14H2,1-2H3
InChIKeyAUDUQTCOWKEBST-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.13
Rot. Bonds3

About 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine

2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine (PubChem CID 117204145) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine
PubChem CID117204145
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine
SMILESCCN1CC(C)c2cccc(CCN)c21
InChIInChI=1S/C13H20N2/c1-3-15-9-10(2)12-6-4-5-11(7-8-14)13(12)15/h4-6,10H,3,7-9,14H2,1-2H3
InChIKeyAUDUQTCOWKEBST-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine?
The IUPAC name of 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine (CID 117204145) is 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine.
What is the SMILES notation for 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine?
The canonical SMILES for 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine is CCN1CC(C)c2cccc(CCN)c21.
What is the InChIKey of 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine?
The InChIKey is AUDUQTCOWKEBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15-9-10(2)12-6-4-5-11(7-8-14)13(12)15/h4-6,10H,3,7-9,14H2,1-2H3.
What are the key properties of 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine?
2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine is sourced from PubChem (CID 117204145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).