2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine

C32H30N2O2 — CID 7072108

IUPAC2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine
SMILESc1ccc(C(NCCc2c[nH]c3ccc(OC[C@H]4CO4)cc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30N2O2/c1-4-10-25(11-5-1)32(26-12-6-2-7-13-26,27-14-8-3-9-15-27)34-19-18-24-21-33-31-17-16-28(20-30(24)31)35-22-29-23-36-29/h1-17,20-21,29,33-34H,18-19,22-23H2/t29-/m0/s1
InChIKeySKABPGQSLFTFTE-LJAQVGFWSA-N
MW474.60 g/mol
LogP6.07
Rot. Bonds10

About 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine

2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine (PubChem CID 7072108) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine.

Molecular Properties

Compound Name2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine
PubChem CID7072108
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Name2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine
SMILESc1ccc(C(NCCc2c[nH]c3ccc(OC[C@H]4CO4)cc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30N2O2/c1-4-10-25(11-5-1)32(26-12-6-2-7-13-26,27-14-8-3-9-15-27)34-19-18-24-21-33-31-17-16-28(20-30(24)31)35-22-29-23-36-29/h1-17,20-21,29,33-34H,18-19,22-23H2/t29-/m0/s1
InChIKeySKABPGQSLFTFTE-LJAQVGFWSA-N
XLogP6.07
TPSA49.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[3-[2-(tritylamino)ethyl]-1H-indol-5-yl] 2-(phenylmethoxycarbonylamino)propanoate
CID 3849199
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine
CID 23967992
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
CID 167890692
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
CID 57018326
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine?
The IUPAC name of 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine (CID 7072108) is 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine.
What is the SMILES notation for 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine?
The canonical SMILES for 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine is c1ccc(C(NCCc2c[nH]c3ccc(OC[C@H]4CO4)cc23)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine?
The InChIKey is SKABPGQSLFTFTE-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-4-10-25(11-5-1)32(26-12-6-2-7-13-26,27-14-8-3-9-15-27)34-19-18-24-21-33-31-17-16-28(20-30(24)31)35-22-29-23-36-29/h1-17,20-21,29,33-34H,18-19,22-23H2/t29-/m0/s1.
What are the key properties of 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine?
2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine has a molecular weight of 474.60 g/mol, XLogP of 6.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2R)-oxiran-2-yl]methoxy]-1H-indol-3-yl]-N-tritylethanamine is sourced from PubChem (CID 7072108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).