1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine

C13H20N2 — CID 117203767

IUPAC1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine
SMILESCCN1CC(C)c2ccc(C(C)N)cc21
InChIInChI=1S/C13H20N2/c1-4-15-8-9(2)12-6-5-11(10(3)14)7-13(12)15/h5-7,9-10H,4,8,14H2,1-3H3
InChIKeyKSWVHNWSADTDOK-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.65
Rot. Bonds2

About 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine

1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine (PubChem CID 117203767) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine
PubChem CID117203767
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine
SMILESCCN1CC(C)c2ccc(C(C)N)cc21
InChIInChI=1S/C13H20N2/c1-4-15-8-9(2)12-6-5-11(10(3)14)7-13(12)15/h5-7,9-10H,4,8,14H2,1-3H3
InChIKeyKSWVHNWSADTDOK-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine?
The IUPAC name of 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine (CID 117203767) is 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine.
What is the SMILES notation for 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine?
The canonical SMILES for 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine is CCN1CC(C)c2ccc(C(C)N)cc21.
What is the InChIKey of 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine?
The InChIKey is KSWVHNWSADTDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-15-8-9(2)12-6-5-11(10(3)14)7-13(12)15/h5-7,9-10H,4,8,14H2,1-3H3.
What are the key properties of 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine?
1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine is sourced from PubChem (CID 117203767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).