propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate

C15H22N2O2 — CID 63235879

IUPACpropan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate
SMILESCC(C)OC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-11(2)19-15(18)10-17-9-12(7-8-16)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyHFASXFVZRDCZAY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds5

About propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate

propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate (PubChem CID 63235879) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate
PubChem CID63235879
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namepropan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate
SMILESCC(C)OC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-11(2)19-15(18)10-17-9-12(7-8-16)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyHFASXFVZRDCZAY-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate (CID 63235879) is propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate is CC(C)OC(=O)CN1CC(CCN)c2ccccc21.
What is the InChIKey of propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate?
The InChIKey is HFASXFVZRDCZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)19-15(18)10-17-9-12(7-8-16)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10,16H2,1-2H3.
What are the key properties of propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate?
propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate has a molecular weight of 262.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate is sourced from PubChem (CID 63235879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).