N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline

C19H22N2O3 — CID 54768182

IUPACN,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline
SMILESCOc1cc2c(ccn2-c2ccc(N(C)C)cc2)c(OC)c1OC
InChIInChI=1S/C19H22N2O3/c1-20(2)13-6-8-14(9-7-13)21-11-10-15-16(21)12-17(22-3)19(24-5)18(15)23-4/h6-12H,1-5H3
InChIKeyRJSVMADFJNMPNG-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.72
Rot. Bonds5

About N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline

N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline (PubChem CID 54768182) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline
PubChem CID54768182
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline
SMILESCOc1cc2c(ccn2-c2ccc(N(C)C)cc2)c(OC)c1OC
InChIInChI=1S/C19H22N2O3/c1-20(2)13-6-8-14(9-7-13)21-11-10-15-16(21)12-17(22-3)19(24-5)18(15)23-4/h6-12H,1-5H3
InChIKeyRJSVMADFJNMPNG-UHFFFAOYSA-N
XLogP3.72
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline (CID 54768182) is N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline is COc1cc2c(ccn2-c2ccc(N(C)C)cc2)c(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline?
The InChIKey is RJSVMADFJNMPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-20(2)13-6-8-14(9-7-13)21-11-10-15-16(21)12-17(22-3)19(24-5)18(15)23-4/h6-12H,1-5H3.
What are the key properties of N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline?
N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline has a molecular weight of 326.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline is sourced from PubChem (CID 54768182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).