2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine

C22H20N2O — CID 54765765

IUPAC2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
SMILESNCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C22H20N2O/c23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h1-13,16H,14-15,23H2
InChIKeyOYBJMYYKHMIYPG-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.92
Rot. Bonds5

About 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine

2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine (PubChem CID 54765765) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
PubChem CID54765765
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine
SMILESNCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C22H20N2O/c23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h1-13,16H,14-15,23H2
InChIKeyOYBJMYYKHMIYPG-UHFFFAOYSA-N
XLogP4.92
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxytryptamine
CID 1833
O-Methylbufotenine
CID 1832
Idalopirdine
CID 21071390
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
Roxindole
CID 219050
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxyindole
CID 13872
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
1H-Indole-3-ethanamine, 5-methoxy-, hydrochloride (1:?)
CID 6198
5-Methoxy-N-Methyltryptamine
CID 16184

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine (CID 54765765) is 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine is NCCc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?
The InChIKey is OYBJMYYKHMIYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c23-15-14-17-16-24(22-9-5-4-8-21(17)22)18-10-12-20(13-11-18)25-19-6-2-1-3-7-19/h1-13,16H,14-15,23H2.
What are the key properties of 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine?
2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine has a molecular weight of 328.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenoxyphenyl)indol-3-yl]ethanamine is sourced from PubChem (CID 54765765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).