5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine

C25H32N2O3 — CID 167454894

IUPAC5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine
SMILESCCOCc1cc(NC2CCOCC2)c2c(c1)c(COC)c(-c1ccccc1)n2C
InChIInChI=1S/C25H32N2O3/c1-4-29-16-18-14-21-22(17-28-3)24(19-8-6-5-7-9-19)27(2)25(21)23(15-18)26-20-10-12-30-13-11-20/h5-9,14-15,20,26H,4,10-13,16-17H2,1-3H3
InChIKeyHQSIHBTVUVLBIR-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.12
Rot. Bonds8

About 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine

5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine (PubChem CID 167454894) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine
PubChem CID167454894
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine
SMILESCCOCc1cc(NC2CCOCC2)c2c(c1)c(COC)c(-c1ccccc1)n2C
InChIInChI=1S/C25H32N2O3/c1-4-29-16-18-14-21-22(17-28-3)24(19-8-6-5-7-9-19)27(2)25(21)23(15-18)26-20-10-12-30-13-11-20/h5-9,14-15,20,26H,4,10-13,16-17H2,1-3H3
InChIKeyHQSIHBTVUVLBIR-UHFFFAOYSA-N
XLogP5.12
TPSA44.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine?
The IUPAC name of 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine (CID 167454894) is 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine.
What is the SMILES notation for 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine?
The canonical SMILES for 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine is CCOCc1cc(NC2CCOCC2)c2c(c1)c(COC)c(-c1ccccc1)n2C.
What is the InChIKey of 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine?
The InChIKey is HQSIHBTVUVLBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-4-29-16-18-14-21-22(17-28-3)24(19-8-6-5-7-9-19)27(2)25(21)23(15-18)26-20-10-12-30-13-11-20/h5-9,14-15,20,26H,4,10-13,16-17H2,1-3H3.
What are the key properties of 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine?
5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine has a molecular weight of 408.54 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine is sourced from PubChem (CID 167454894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).