N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline

C20H24N2O3 — CID 67560832

IUPACN-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline
SMILESCCN(Cc1cc2ccccc2[nH]1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24N2O3/c1-5-22(13-15-10-14-8-6-7-9-17(14)21-15)16-11-18(23-2)20(25-4)19(12-16)24-3/h6-12,21H,5,13H2,1-4H3
InChIKeyPDTNIOIVINLPTM-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.22
Rot. Bonds7

About N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline

N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline (PubChem CID 67560832) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline.

Molecular Properties

Compound NameN-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline
PubChem CID67560832
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline
SMILESCCN(Cc1cc2ccccc2[nH]1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24N2O3/c1-5-22(13-15-10-14-8-6-7-9-17(14)21-15)16-11-18(23-2)20(25-4)19(12-16)24-3/h6-12,21H,5,13H2,1-4H3
InChIKeyPDTNIOIVINLPTM-UHFFFAOYSA-N
XLogP4.22
TPSA46.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline?
The IUPAC name of N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline (CID 67560832) is N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline.
What is the SMILES notation for N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline?
The canonical SMILES for N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline is CCN(Cc1cc2ccccc2[nH]1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline?
The InChIKey is PDTNIOIVINLPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-22(13-15-10-14-8-6-7-9-17(14)21-15)16-11-18(23-2)20(25-4)19(12-16)24-3/h6-12,21H,5,13H2,1-4H3.
What are the key properties of N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline?
N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline has a molecular weight of 340.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-indol-2-ylmethyl)-3,4,5-trimethoxyaniline is sourced from PubChem (CID 67560832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).