2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine

C30H36N2O6 — CID 53494675

IUPAC2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(OC)cc1CN(CCc1c[nH]c2ccccc12)Cc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C30H36N2O6/c1-33-25-15-29(37-5)27(35-3)13-21(25)18-32(12-11-20-17-31-24-10-8-7-9-23(20)24)19-22-14-28(36-4)30(38-6)16-26(22)34-2/h7-10,13-17,31H,11-12,18-19H2,1-6H3
InChIKeyGIVBMSWNWFIWSV-UHFFFAOYSA-N
MW520.63 g/mol
LogP5.46
Rot. Bonds13

About 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine

2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 53494675) has the molecular formula C30H36N2O6 and a molecular weight of 520.63 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID53494675
Molecular FormulaC30H36N2O6
Molecular Weight520.63 g/mol
Exact Mass520.26
IUPAC Name2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(OC)cc1CN(CCc1c[nH]c2ccccc12)Cc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C30H36N2O6/c1-33-25-15-29(37-5)27(35-3)13-21(25)18-32(12-11-20-17-31-24-10-8-7-9-23(20)24)19-22-14-28(36-4)30(38-6)16-26(22)34-2/h7-10,13-17,31H,11-12,18-19H2,1-6H3
InChIKeyGIVBMSWNWFIWSV-UHFFFAOYSA-N
XLogP5.46
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
N-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
2-(1H-indol-3-yl)-N,N-bis[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 101188499
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
2-[[(2,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 1030930
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
2-[[(2,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4639428
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine
CID 53494673
N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 110733002
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 162773405
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7248572

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine (CID 53494675) is 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(OC)c(OC)cc1CN(CCc1c[nH]c2ccccc12)Cc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is GIVBMSWNWFIWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O6/c1-33-25-15-29(37-5)27(35-3)13-21(25)18-32(12-11-20-17-31-24-10-8-7-9-23(20)24)19-22-14-28(36-4)30(38-6)16-26(22)34-2/h7-10,13-17,31H,11-12,18-19H2,1-6H3.
What are the key properties of 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 520.63 g/mol, XLogP of 5.46, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 53494675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).