2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine

C22H22N2O — CID 155555506

IUPAC2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESCN(CCc1c[nH]c2ccccc12)Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C22H22N2O/c1-24(14-13-18-15-23-21-10-6-5-9-20(18)21)16-19-11-12-22(25-19)17-7-3-2-4-8-17/h2-12,15,23H,13-14,16H2,1H3
InChIKeyJTENRKUQAXBDKF-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.10
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine

2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine (PubChem CID 155555506) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine
PubChem CID155555506
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESCN(CCc1c[nH]c2ccccc12)Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C22H22N2O/c1-24(14-13-18-15-23-21-10-6-5-9-20(18)21)16-19-11-12-22(25-19)17-7-3-2-4-8-17/h2-12,15,23H,13-14,16H2,1H3
InChIKeyJTENRKUQAXBDKF-UHFFFAOYSA-N
XLogP5.10
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine (CID 155555506) is 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine is CN(CCc1c[nH]c2ccccc12)Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The InChIKey is JTENRKUQAXBDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-24(14-13-18-15-23-21-10-6-5-9-20(18)21)16-19-11-12-22(25-19)17-7-3-2-4-8-17/h2-12,15,23H,13-14,16H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine has a molecular weight of 330.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-methyl-N-[(5-phenylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 155555506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).