2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine

C15H22N2O — CID 82718943

IUPAC2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine
SMILESCC1OCCC1N1CC(CCN)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-11-14(7-9-18-11)17-10-12(6-8-16)13-4-2-3-5-15(13)17/h2-5,11-12,14H,6-10,16H2,1H3
InChIKeyPBUXHDCAUVDQOU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.12
Rot. Bonds3

About 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine

2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 82718943) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine
PubChem CID82718943
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine
SMILESCC1OCCC1N1CC(CCN)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-11-14(7-9-18-11)17-10-12(6-8-16)13-4-2-3-5-15(13)17/h2-5,11-12,14H,6-10,16H2,1H3
InChIKeyPBUXHDCAUVDQOU-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine (CID 82718943) is 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine is CC1OCCC1N1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is PBUXHDCAUVDQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-14(7-9-18-11)17-10-12(6-8-16)13-4-2-3-5-15(13)17/h2-5,11-12,14H,6-10,16H2,1H3.
What are the key properties of 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine?
2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyloxolan-3-yl)-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 82718943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).