N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine

C16H26N2O3 — CID 166138554

IUPACN,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine
SMILESCOc1cc2c(c(OC)c1OC)C(C)(CCN(C)C)CN2
InChIInChI=1S/C16H26N2O3/c1-16(7-8-18(2)3)10-17-11-9-12(19-4)14(20-5)15(21-6)13(11)16/h9,17H,7-8,10H2,1-6H3
InChIKeyGFMDFTHSYISTIM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.35
Rot. Bonds6

About N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine

N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine (PubChem CID 166138554) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine
PubChem CID166138554
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine
SMILESCOc1cc2c(c(OC)c1OC)C(C)(CCN(C)C)CN2
InChIInChI=1S/C16H26N2O3/c1-16(7-8-18(2)3)10-17-11-9-12(19-4)14(20-5)15(21-6)13(11)16/h9,17H,7-8,10H2,1-6H3
InChIKeyGFMDFTHSYISTIM-UHFFFAOYSA-N
XLogP2.35
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine (CID 166138554) is N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine is COc1cc2c(c(OC)c1OC)C(C)(CCN(C)C)CN2.
What is the InChIKey of N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine?
The InChIKey is GFMDFTHSYISTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(7-8-18(2)3)10-17-11-9-12(19-4)14(20-5)15(21-6)13(11)16/h9,17H,7-8,10H2,1-6H3.
What are the key properties of N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine?
N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine has a molecular weight of 294.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine is sourced from PubChem (CID 166138554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).