1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine

C14H22N2 — CID 117203088

IUPAC1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine
SMILESCCN1CC(C)c2c(C(C)NC)cccc21
InChIInChI=1S/C14H22N2/c1-5-16-9-10(2)14-12(11(3)15-4)7-6-8-13(14)16/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyGCBHHSACMITZEM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.91
Rot. Bonds3

About 1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine

1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine (PubChem CID 117203088) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine
PubChem CID117203088
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine
SMILESCCN1CC(C)c2c(C(C)NC)cccc21
InChIInChI=1S/C14H22N2/c1-5-16-9-10(2)14-12(11(3)15-4)7-6-8-13(14)16/h6-8,10-11,15H,5,9H2,1-4H3
InChIKeyGCBHHSACMITZEM-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117200088
1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine
CID 117200112
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine
CID 115106081
1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
CID 117200061
N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine
CID 79678667
1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine
CID 117199608
N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine
CID 79678434
1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
CID 79678198
6-chloro-1-ethyl-3-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 104839614
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 60974257
1-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)ethanamine
CID 117203767
1-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 117203413

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine?
The IUPAC name of 1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine (CID 117203088) is 1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine is CCN1CC(C)c2c(C(C)NC)cccc21.
What is the InChIKey of 1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine?
The InChIKey is GCBHHSACMITZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-16-9-10(2)14-12(11(3)15-4)7-6-8-13(14)16/h6-8,10-11,15H,5,9H2,1-4H3.
What are the key properties of 1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine?
1-(1-ethyl-3-methyl-2,3-dihydroindol-4-yl)-N-methylethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.91, 3 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-4-yl)-N-methylethanamine is sourced from PubChem (CID 117203088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).