2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine

C28H30N4O2 — CID 11797998

IUPAC2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
InChIInChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2
InChIKeyIFTLFEAARDEHJJ-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.81
Rot. Bonds10

About 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine

2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine (PubChem CID 11797998) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine
PubChem CID11797998
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
InChIInChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2
InChIKeyIFTLFEAARDEHJJ-UHFFFAOYSA-N
XLogP4.81
TPSA102.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine (CID 11797998) is 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12.
What is the InChIKey of 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine?
The InChIKey is IFTLFEAARDEHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2.
What are the key properties of 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine?
2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine has a molecular weight of 454.57 g/mol, XLogP of 4.81, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]phenyl]methoxy]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 11797998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).