1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine

C13H20N2 — CID 82277261

IUPAC1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine
SMILESCCc1ccc2c(c1)C(C(C)N)CN2C
InChIInChI=1S/C13H20N2/c1-4-10-5-6-13-11(7-10)12(9(2)14)8-15(13)3/h5-7,9,12H,4,8,14H2,1-3H3
InChIKeyIGCPTIAKSBQXBH-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.13
Rot. Bonds2

About 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine

1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine (PubChem CID 82277261) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine
PubChem CID82277261
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine
SMILESCCc1ccc2c(c1)C(C(C)N)CN2C
InChIInChI=1S/C13H20N2/c1-4-10-5-6-13-11(7-10)12(9(2)14)8-15(13)3/h5-7,9,12H,4,8,14H2,1-3H3
InChIKeyIGCPTIAKSBQXBH-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine?
The IUPAC name of 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine (CID 82277261) is 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine?
The canonical SMILES for 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine is CCc1ccc2c(c1)C(C(C)N)CN2C.
What is the InChIKey of 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine?
The InChIKey is IGCPTIAKSBQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-10-5-6-13-11(7-10)12(9(2)14)8-15(13)3/h5-7,9,12H,4,8,14H2,1-3H3.
What are the key properties of 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine?
1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine is sourced from PubChem (CID 82277261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).